Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9672034 | 0.91 | CA12 (0.47) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL9662518 | 0.84 | KCNH2 (0.45) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL12143087 | 0.84 | CA12 (0.42) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL6880345 | 0.84 | MMP3 (0.45) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL14997971 | 0.80 | CA1 (0.44) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL26338344 | 0.80 | CA2 (0.38) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL3602803 | 0.79 | CA12 (0.54) | CYP2A6CA12CA1CA9CA2 | |
| SCHEMBL11138066 | 0.77 | CA12 (0.42) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL6299972 | 0.77 | KCNH2 (0.46) | CA12CA1CA9CA2MMP2 | |
| SCHEMBL13959190 | 0.77 | CYP2A6 (0.47) | CYP2A6CA12CA1CA9CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482364-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-7482364-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2009-01-27 | — | — | US | disclosed |
| US-7446104-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-7446104-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20080103135-A1 | PHENYLALKYNES | APODACA RICHARD | 2008-05-01 | — | — | US | disclosed |
| US-20080103135-A1 | PHENYLALKYNES | APODACA RICHARD | 2008-05-01 | — | — | US | disclosed |
| US-20080096876-A1 | PHENYLALKYNES | APODACA RICHARD | 2008-04-24 | — | — | US | disclosed |
| US-20080096876-A1 | PHENYLALKYNES | APODACA RICHARD | 2008-04-24 | — | — | US | disclosed |
| US-7288540-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2007-10-30 | — | — | US | disclosed |
| US-7288540-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2007-10-30 | — | — | US | disclosed |
| US-20070072837-A1 | Phenylalkynes | APODACA RICHARD | 2007-03-29 | — | — | US | disclosed |
| US-20070072837-A1 | Phenylalkynes | APODACA RICHARD | 2007-03-29 | — | — | US | disclosed |
| US-20060258859-A1 | Phenylalkynes | APODACA RICHARD | 2006-11-16 | — | — | US | disclosed |
| EP-1567494-A1 | METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-6884803-B2 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-04-26 | — | — | US | disclosed |
| EP-1451167-A1 | PHENYLALKYNES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-09-01 | — | — | EP | disclosed |
| WO-2004050623-A1 | METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2004-06-17 | — | — | WO | disclosed |
| US-20040002604-A1 | Phenylalkynes | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-01-01 | — | — | US | disclosed |
| US-20030144323-A1 | For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-07-31 | — | — | US | disclosed |
| WO-2003050099-A1 | PHENYLALKYNES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-06-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080103135-A1 | PHENYLALKYNES | HRH2, HRH3, HNMT | CYP2A6 584/4885CA12 2544/4885CA1 2525/4885 |
| US-20060258859-A1 | Phenylalkynes | HRH2, HRH3, HNMT | CYP2A6 584/4885CA12 2544/4885CA1 2525/4885 |
| US-20070072837-A1 | Phenylalkynes | HRH2, HRH3, HNMT | CYP2A6 584/4885CA12 2544/4885CA1 2525/4885 |
| US-20080096876-A1 | PHENYLALKYNES | HRH2, HRH3, HNMT | CYP2A6 584/4885CA12 2544/4885CA1 2525/4885 |
| US-20030144323-A1 | For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia | HRH3, HRH2, HRH4 | CYP2A6 506/4885CA12 2782/4885CA1 1672/4885 |
| US-20040002604-A1 | Phenylalkynes | HRH2, HRH3, HNMT | CYP2A6 584/4885CA12 2544/4885CA1 2525/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.