Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10296151 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP2A6TAAR1PYCR1AGXT | |
| SCHEMBL28174584 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2A6TAAR1AGXTDPP4 | |
| SCHEMBL24098427 | 0.80 | TAAR1 (0.40) | CYP1A2CYP2A6TAAR1PYCR1AGXT | |
| SCHEMBL10348476 | 0.80 | ANPEP (0.47) | CYP2A6TAAR1MAOBCYP2D6NFKB1 | |
| SCHEMBL15142215 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2A6TAAR1PYCR1MAOB | |
| SCHEMBL9386674 | 0.75 | TAAR1 (0.54) | CYP1A2CYP2A6TAAR1AGXTMAOB | |
| SCHEMBL5445176 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2A6TAAR1AGXTDPP4 | |
| SCHEMBL8608053 | 0.72 | CYP1A2 (0.56) | CYP1A2CYP2A6TAAR1AGXTDPP4 | |
| SCHEMBL1274308 | 0.70 | CALM1 (0.49) | CYP1A2TAAR1PYCR1AGXTMAOB | |
| SCHEMBL10296057 | 0.70 | IGF1R (0.43) | CYP1A2CYP2A6TAAR1PYCR1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773853-A1 | MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS | Sumitomo Chemical Company, Limited (JP) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005121157-A1 | MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-12-22 | — | — | WO | disclosed |