Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4745365 | 0.79 | CYP2A6 (0.48) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL8669516 | 0.77 | CYP2A6 (0.46) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL7569322 | 0.76 | IDO1 (0.41) | CYP2A6ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL1387883 | 0.76 | ESR1 (0.44) | ABATALDH1A1KDM4EKMT2A | |
| SCHEMBL5699094 | 0.76 | TRPA1 (0.42) | SMN1; SMN2RAB9A | |
| SCHEMBL8329657 | 0.75 | CYP2A6 (0.44) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL57808 | 0.75 | MAOB (0.52) | TSHR | |
| SCHEMBL6265512 | 0.75 | CYP2A6 (0.44) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL10565709 | 0.74 | CYP2A6 (0.39) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL10565718 | 0.74 | CYP2A6 (0.39) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458679-A2 | PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS | Applied Research Systems ARS Holding N.V. (AN) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003053923-A2 | PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-07-03 | — | — | WO | disclosed |
| EP-0912567-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043287-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |