Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7945076 | 0.89 | NPC1 (0.49) | TSHRNPC1ALDH1A1TP53MAPT | |
| SCHEMBL7836175 | 0.86 | ALDH1A1 (0.45) | TSHRNPC1ALDH1A1TP53MAPT | |
| SCHEMBL7480378 | 0.80 | CASP3 (0.47) | TSHRNPC1RAB9APDE3BPDE3A | |
| SCHEMBL7565031 | 0.75 | CASP3 (0.43) | TSHRNPC1RAB9APDE3BPDE3A | |
| SCHEMBL19224991 | 0.75 | MEN1 (0.70) | TSHRNPC1ALDH1A1TP53MAPT | |
| SCHEMBL7836971 | 0.72 | CREBBP (0.46) | NPC1ALDH1A1MAPT | |
| SCHEMBL14472098 | 0.72 | MGLL (0.55) | TSHRNPC1ALDH1A1TP53MAPT | |
| SCHEMBL9313786 | 0.72 | MGLL (0.52) | TSHRNPC1ALDH1A1TP53MAPT | |
| SCHEMBL4622546 | 0.71 | HTR5A (0.43) | ALDH1A1PDE3BPDE3A | |
| SCHEMBL7825601 | 0.71 | CMA1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329389-B1 | HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1070054-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052875-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-21 | — | — | WO | disclosed |