Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6090040 | 0.87 | ACHE (0.49) | CRHBPCRHR2KEAP1NFE2L2CYP1A2 | |
| SCHEMBL28020292 | 0.80 | CRHBP (0.47) | CRHBPCRHR2KEAP1NFE2L2CYP1A2 | |
| SCHEMBL28191784 | 0.80 | CRHBP (0.47) | CRHBPCRHR2KEAP1NFE2L2CYP1A2 | |
| SCHEMBL9015186 | 0.80 | GPR3 (0.39) | CYP1A2KDM4EPOLBMAPK1LMNA | |
| SCHEMBL9015179 | 0.76 | KDM4E (0.45) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL9015199 | 0.73 | ALOX15 (0.35) | CYP2A6ALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL9015155 | 0.73 | CYP1A2 (0.35) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL21877847 | 0.73 | ALDH1A1 (0.55) | CRHBPCRHR2KEAP1NFE2L2CYP1A2 | |
| SCHEMBL5763105 | 0.73 | KDM4E (0.33) | ALDH1A1KDM4EMAPTHTT | |
| SCHEMBL6088423 | 0.73 | ALDH1A1 (0.36) | CYP1A2CYP2A6ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1054845-C | Quinoline compounds | NOVARTIS AG (CH) | 2000-07-26 | — | — | CN | disclosed |
| US-5508408-A | LEUKOTRIENE ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |
| CN-1105991-A | Quinoline compounds | CIBA GEIGY AG (CH) | 1995-08-02 | — | — | CN | disclosed |