Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102904 | 0.90 | CES2 (0.43) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL8088144 | 0.80 | CYP3A4 (0.43) | ALDH1A1KMT2A | |
| SCHEMBL1831263 | 0.73 | DDB1 (0.47) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL27657157 | 0.69 | DDB1 (0.55) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL1830233 | 0.67 | DDB1 (0.45) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL29013938 | 0.67 | DDB1 (0.52) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL29016897 | 0.66 | DDB1 (0.61) | DDB1CRBNHSD11B1CYP19A1MAOB | |
| SCHEMBL8676314 | 0.66 | DDB1 (0.51) | DDB1CRBNHSD11B1MAOBALDH1A1 | |
| SCHEMBL8676485 | 0.66 | DDB1 (0.51) | DDB1CRBNHSD11B1MAOBALDH1A1 | |
| SCHEMBL19050135 | 0.66 | DDB1 (0.51) | DDB1CRBNHSD11B1MAOBALDH1A1 |
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-1061926-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999047132-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-23 | — | — | WO | disclosed |