Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.45 |
| ▸ | HPGD | P15428 | 7/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6977427 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL6977434 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7660794 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7086889 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7086881 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL7616632 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL6981690 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL6977441 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7659773 | 0.99 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL7659769 | 0.99 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0603887-B1 | Bicyclic amine derivatives | DAIICHI SEIYAKU CO (JP) | 2003-10-01 | — | — | EP | claimed |
| EP-0839806-B1 | Substituted tricyclics | LILLY CO ELI (US) | 2003-07-09 | — | — | EP | claimed |
| EP-0603887-A2 | Bicyclic amine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-06-29 | — | — | EP | claimed |
| EP-0603887-B1 | Bicyclic amine derivatives | DAIICHI SEIYAKU CO (JP) | 2003-10-01 | — | — | EP | disclosed |
| US-5654318-A | 1-HALOCYCLOPROPYL-3-CARBOXY-4-OXO-7-(2,8-DIAZOBICYCLO(4.3.0)-NON-8-YL)QUINOLINES; POTENT MICROBIOCIDES; NONTOXIC; REDUCED LIPOPHILICITY | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0603887-A2 | Bicyclic amine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-06-29 | — | — | EP | disclosed |