Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4132726 | 0.96 | MEN1 (0.44) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL14936417 | 0.95 | MEN1 (0.50) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL11912150 | 0.93 | MEN1 (0.44) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL5266083 | 0.93 | MEN1 (0.44) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1879731 | 0.93 | MEN1 (0.44) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3841851 | 0.92 | SMN1; SMN2 (0.51) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3841854 | 0.92 | SMN1; SMN2 (0.51) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1873076 | 0.92 | KMT2A (0.41) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL21193102 | 0.91 | MEN1 (0.43) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL30027169 | 0.90 | HTT (0.46) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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 (3 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-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | MEN1 3156/4885KMT2A 675/4885NPSR1 7/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | MEN1 3156/4885KMT2A 675/4885NPSR1 7/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | MEN1 3156/4885KMT2A 675/4885NPSR1 7/4885 |
“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.