Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL797985 | 0.80 | ALDH1A1 (0.59) | SIGMAR1KCNH2KDM4EALDH1A1MEN1 | |
| SCHEMBL10212101 | 0.80 | HRH3 (0.65) | SIGMAR1KCNH2KDM4EALDH1A1MEN1 | |
| SCHEMBL6559974 | 0.80 | ALDH1A1 (0.61) | SIGMAR1KDM4EALDH1A1HRH3HDAC1 | |
| SCHEMBL15500352 | 0.80 | TNIK (0.50) | POLBKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL568477 | 0.79 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1HDAC1HDAC6 | |
| SCHEMBL12666600 | 0.79 | HRH3 (0.69) | SIGMAR1KCNH2POLBKDM4EALDH1A1 | |
| SCHEMBL270997 | 0.79 | HRH3 (0.69) | SIGMAR1KCNH2POLBKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1243957 | 0.78 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1HDAC1HDAC6 | |
| SCHEMBL1366467 | 0.78 | L3MBTL1 (0.54) | SIGMAR1POLBHRH3LMNA | |
| Hydrochloric Acid SCHEMBL7407307 | 0.77 | HRH3 (0.67) | SIGMAR1KCNH2POLBKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834521-B2 | Choline kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |
| US-20160024024-A1 | Novel Choline Kinase Inhibitors | ARIAD PHARMACEUTICALS, INC. | 2016-01-28 | — | — | US | 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 (1 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-20160024024-A1 | Novel Choline Kinase Inhibitors | CHKA, CHKB, CEPT1 | SIGMAR1 2499/4885KCNH2 1010/4885DRD2 3686/4885 |
“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.