Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | BPTF | Q12830 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4754539 | 0.82 | ALDH1A1 (0.38) | ALDH1A1NPC1SMN1; SMN2AKR1C3NAMPT | |
| SCHEMBL4756862 | 0.74 | ALDH1A1 (0.33) | ALDH1A1NPC1SMN1; SMN2NAMPTMEN1 | |
| SCHEMBL1713072 | 0.74 | ALDH1A1 (0.42) | ALDH1A1NPC1AKR1C3NAMPTATM | |
| SCHEMBL2606048 | 0.72 | ALDH1A1 (0.67) | ALDH1A1NPC1SMN1; SMN2L3MBTL1ATM | |
| SCHEMBL2439450 | 0.72 | GNAI3 (0.53) | ALDH1A1NPC1AKR1C3NAMPTGNAI3 | |
| SCHEMBL19973506 | 0.72 | ALDH1A1 (0.41) | ALDH1A1NPC1AKR1C3NAMPTEPHX2 | |
| SCHEMBL15615966 | 0.72 | ALDH1A1 (0.41) | ALDH1A1NPC1AKR1C3NAMPTEPHX2 | |
| SCHEMBL1713095 | 0.72 | ALOX5 (0.44) | ALDH1A1NPC1AKR1C3NAMPTEPHX2 | |
| SCHEMBL8642977 | 0.72 | — | — | |
| SCHEMBL10972781 | 0.72 | ALDH1A1 (0.50) | ALDH1A1NPC1SMN1; SMN2AKR1C3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2921484-B1 | OXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | disclosed |
| EP-2921485-B1 | ISOXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | disclosed |
| EP-2921492-B1 | HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES | BAYER IP GMBH (DE) | 2017-09-06 | — | — | EP | disclosed |