Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | F10 | P00742 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NPR3 | P17342 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1204164 | 0.86 | PIN1 (0.35) | KDM4EALDH1A1MEN1RAB9AKMT2A | |
| SCHEMBL4085906 | 0.85 | PIN1 (0.36) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4089005 | 0.79 | S1PR1 (0.33) | S1PR1KDM4EALDH1A1MEN1RAB9A | |
| SCHEMBL3667963 | 0.79 | S1PR1 (0.30) | S1PR1KDM4EALDH1A1MEN1RAB9A | |
| SCHEMBL4085806 | 0.76 | KMT2A (0.38) | TSHRKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL1203492 | 0.75 | ALDH1A1 (0.34) | TSHRKDM4EALDH1A1MEN1RAB9A | |
| SCHEMBL1204255 | 0.74 | POLB (0.36) | TSHRKDM4EALDH1A1MEN1RAB9A | |
| SCHEMBL3541923 | 0.73 | PIN1 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL3545081 | 0.72 | S1PR1 (0.31) | S1PR1S1PR3 | |
| SCHEMBL3670056 | 0.71 | TAS1R3 (0.35) | SLC6A2SLC6A4 |
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-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | TSHR 3437/4885S1PR1 222/4885S1PR3 300/4885 |
“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.