Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375082 | 0.75 | MLYCD (0.38) | CYP3A4SMN1; SMN2CYP2C9CYP2C19 | |
| Water SCHEMBL11643605 | 0.74 | MLYCD (0.37) | CYP3A4SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL5726224 | 0.72 | TDP1 (0.46) | CYP3A4ALDH1A1TDP1MAPK1L3MBTL1 | |
| SCHEMBL341751 | 0.71 | TDP1 (0.50) | CYP3A4ALDH1A1TDP1MAPK1L3MBTL1 | |
| SCHEMBL7196096 | 0.70 | TRPM8 (0.40) | CYP3A4ALDH1A1TDP1TP53LMNA | |
| SCHEMBL9800457 | 0.69 | MLYCD (0.40) | CYP3A4ALDH1A1TDP1MAPK1L3MBTL1 | |
| SCHEMBL7529512 | 0.69 | MEN1 (0.43) | ALDH1A1MAPK1TP53LMNAKDM4E | |
| SCHEMBL13645020 | 0.68 | ALDH1A1 (0.43) | CYP3A4ALDH1A1TDP1MAPK1L3MBTL1 | |
| SCHEMBL5690847 | 0.67 | ALDH1A1 (0.52) | CYP3A4ALDH1A1TDP1L3MBTL1TSHR | |
| SCHEMBL13644994 | 0.66 | TDP1 (0.44) | CYP3A4ALDH1A1TDP1MAPK1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3953439-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |