Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.55 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 2/20 | 0.51 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 4/20 | 0.45 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.45 |
| ▸ | ICMT | O60725 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2537557 | 0.88 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL2539105 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL13548682 | 0.82 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL1791105 | 0.80 | MEN1 (0.60) | ALDH1A1CYP1A2CYP2C19IMPDH2TRPM8 | |
| SCHEMBL1093746 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL20629258 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL29055655 | 0.76 | TRPM8 (0.58) | TRPM8PIK3CAMTORHTR1DHTR1B | |
| SCHEMBL2531595 | 0.76 | CYP2A6 (0.61) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL25978455 | 0.76 | TRPM8 (0.62) | ALDH1A1TRPM8PIK3CAMTORHTR1D | |
| SCHEMBL14572611 | 0.76 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548250-B1 | SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY | RHONE POULENC RORER INT (US) | 1996-03-27 | — | — | EP | disclosed |
| US-5468898-A | Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1995-11-21 | — | — | US | disclosed |
| EP-0548250-A4 | SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY | — | 1993-10-27 | — | — | EP | disclosed |
| EP-0548250-A1 | SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. | RHONE POULENC RORER INT (US) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992004321-A1 | SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-03-19 | — | — | WO | disclosed |