Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256933 | 0.87 | DPP4 (0.36) | — | |
| SCHEMBL5656923 | 0.81 | RXRA (0.33) | CYP3A4MAOA | |
| SCHEMBL15322246 | 0.78 | CYP3A4 (0.42) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL27439241 | 0.78 | CYP3A4 (0.42) | CYP3A4CASP1RECQLCPN1CPB2 | |
| SCHEMBL15771582 | 0.78 | OPRM1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL10723269 | 0.78 | ADRB1 (0.52) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL1419520 | 0.78 | IDO1 (0.44) | CYP3A4ALDH1A1MAOACYP2D6SLC6A2 | |
| SCHEMBL7595298 | 0.78 | IDO1 (0.44) | CYP3A4ALDH1A1MAOACYP2D6SLC6A2 | |
| SCHEMBL16085848 | 0.78 | TP53 (0.45) | ALDH1A1TDP1CYP19A1MAPK1MAPT | |
| SCHEMBL1534125 | 0.75 | DPP4 (0.50) | ALDH1A1LMNATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-6065166-A | — | — | None | — | — | JP | disclosed |
| JP-H0665166-A | SEPARATION OF ALPHA-@(3754/24)M-NITROPHENYL)ALKYLAMINE AND ALPHA-@(3754/24)P-NITROPHENYL)ALKYLAMINE AND PRODUCTION OF ALPHA-@(3754/24)M-AMINOPHENYL)ALKYLAMINE AND ALPHA-@(3754/24)P-AMINOPHENYL) ALKYLAMINES USING THE SAME | MITSUI TOATSU CHEM INC | 1994-03-08 | — | — | JP | disclosed |