Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 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 | |
|---|---|---|---|---|
| SCHEMBL8118322 | 0.83 | KDR (0.50) | KDREGFRFGFR1CYP11B1CYP11B2 | |
| SCHEMBL8180113 | 0.81 | KIF11 (0.44) | KDREGFRFGFR1CYP3A4CYP17A1 | |
| SCHEMBL4454661 | 0.80 | CYP11B2 (0.66) | CYP11B1CYP11B2CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL18007324 | 0.78 | ABCB1 (0.57) | KDREGFRFGFR1ABL1OPRM1 | |
| SCHEMBL30562384 | 0.75 | NPY5R (0.67) | KDRCYP11B1CYP11B2CYP19A1ALDH1A1 | |
| SCHEMBL13362351 | 0.75 | NPY5R (0.67) | KDRCYP11B1CYP11B2CYP19A1ALDH1A1 | |
| SCHEMBL8103834 | 0.74 | NPY5R (0.65) | KDRCYP11B1CYP11B2CYP19A1ALDH1A1 | |
| SCHEMBL27888410 | 0.74 | KDR (0.54) | KDREGFRFGFR1CYP11B1CYP11B2 | |
| SCHEMBL28715395 | 0.72 | ALPL (0.39) | KDREGFRFGFR1NPY5RALPL | |
| SCHEMBL29421207 | 0.72 | ALPL (0.39) | KDREGFRFGFR1NPY5RALPL |
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-1019410-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |