Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.60 |
| ▸ | TSHR | P16473 | 8/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.60 |
| ▸ | USP2 | O75604 | 5/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20238802 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL3951728 | 0.80 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL22792193 | 0.78 | ATM (0.56) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15503724 | 0.78 | NPC1 (0.76) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL18903800 | 0.78 | ATM (0.71) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3951910 | 0.77 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL34462821 | 0.77 | CYP1A2 (0.77) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3951257 | 0.77 | ALDH1A1 (0.61) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13115775 | 0.77 | ATM (0.72) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL34462816 | 0.77 | CYP1A2 (0.71) | ATMCYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |