Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14202598 | 0.85 | HPGD (0.73) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL2945284 | 0.84 | CYP1A2 (0.71) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL6557518 | 0.81 | RAB9A (0.65) | CYP1A2ALDH1A1LMNAHPGDMAPK1 | |
| SCHEMBL9726513 | 0.81 | RAB9A (0.66) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL20157316 | 0.80 | MAPT (0.61) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL7469126 | 0.80 | ABCG2 (0.52) | CYP1A2ALDH1A1HPGDCYP2C19CYP2D6 | |
| SCHEMBL20157317 | 0.79 | NPC1 (0.58) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL18288030 | 0.78 | CNR2 (0.65) | CYP1A2NPC1RAB9ACASP3SENP7 | |
| SCHEMBL7560635 | 0.78 | KDM4E (0.66) | CYP1A2HTTALDH1A1LMNAPGR | |
| SCHEMBL7560673 | 0.77 | KDM4E (0.60) | CYP1A2HTTALDH1A1LMNAPGR |
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-6242493-B1 | PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-06-05 | — | — | US | disclosed |