Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL9616688 | 0.80 | LMNA (0.54) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL29861042 | 0.77 | CTSS (0.39) | ALDH1A1KDM4ETSHRNFKB1HIF1A | |
| SCHEMBL6200956 | 0.77 | TYR (0.67) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL11467358 | 0.77 | TYR (0.55) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL3911748 | 0.77 | TYR (0.50) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL12197898 | 0.75 | ACHE (0.46) | ALDH1A1KDM4ETSHRNFKB1HIF1A | |
| Cuminaldehyde SCHEMBL2485456 | 0.75 | TYR (0.86) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL1681794 | 0.75 | TYR (0.48) | TYRALDH1A3CYP2A6ALDH5A1ABAT | |
| SCHEMBL5725101 | 0.74 | S1PR2 (0.48) | TYRALDH1A3ALDH1A1ALDH3A1KDM4E | |
| SCHEMBL12243879 | 0.74 | AOC3 (0.53) | MAPK1TSHRHIF1ALMNA |
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-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| CN-1384835-A | Tricycle inhibitors of poly(ADP-ribose) polymerases | AGOURON PHARMA (US) | 2002-12-11 | — | — | CN | disclosed |
| EP-1208104-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016136-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-03-08 | — | — | WO | disclosed |