Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327952 | 0.93 | CRHBP (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19CRHBP | |
| SCHEMBL8323939 | 0.87 | AR (0.49) | NPC1RAB9ACRHBPCRHR2AR | |
| SCHEMBL8327171 | 0.87 | CRHBP (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL8326188 | 0.87 | CYP19A1 (0.55) | ALDH1A1MAPTHTTNPC1RAB9A | |
| SCHEMBL8323517 | 0.84 | KCNJ1 (0.46) | MAPTNPC1CRHBPCRHR2AR | |
| SCHEMBL8324619 | 0.84 | KCNJ1 (0.46) | MAPTNPC1CRHBPCRHR2AR | |
| SCHEMBL8329070 | 0.84 | MMP1 (0.45) | MAPTRAB9ACRHBPCRHR2AR | |
| SCHEMBL8329428 | 0.76 | MAOA (0.42) | CRHBPCRHR2CYP19A1NR1D1NR1H3 | |
| SCHEMBL3152135 | 0.72 | PYCR1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL5843018 | 0.72 | CRHBP (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT |
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-0640595-B1 | SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5538976-A | ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0640595-A1 | NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-01 | — | — | EP | disclosed |