Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ATM | Q13315 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6325690 | 0.83 | ALDH1A1 (0.67) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6326180 | 0.82 | HPGD (0.65) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6332414 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6328228 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6326021 | 0.82 | ATM (0.72) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6326409 | 0.81 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6332427 | 0.80 | TSHR (0.60) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL5330405 | 0.80 | ALDH1A1 (0.83) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL7837661 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP3A4MCL1TSHR | |
| SCHEMBL6327192 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDCYP3A4MCL1TSHR |
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 |