Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.38 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13673478 | 0.78 | CYP2A6 (0.44) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL20103 | 0.78 | CYP2A6 (0.44) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL648420 | 0.76 | ALDH1A1 (0.52) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL28879807 | 0.76 | TAAR1 (0.42) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL11306664 | 0.76 | ESR1 (0.50) | TAAR1IDO1MEN1KMT2A | |
| SCHEMBL219760 | 0.74 | — | — | |
| SCHEMBL28743524 | 0.74 | IDO1 (0.44) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL24042960 | 0.72 | IDO1 (0.43) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL3255735 | 0.72 | IDO1 (0.43) | CYP2A6TAAR1HTR2AIDO1MEN1 | |
| SCHEMBL9680305 | 0.72 | ALDH1A1 (0.44) | CYP2A6TAAR1HTR2AIDO1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551834-A4 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORP (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1551834-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORPORATION (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2003099818-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORPORATION (US) | 2003-12-04 | — | — | WO | disclosed |