Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009877 | 0.83 | HTR7 (0.36) | HTR7ALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL7009460 | 0.76 | HCRTR2 (0.34) | MAPK1SMN1; SMN2 | |
| SCHEMBL7144062 | 0.73 | KMT2A (0.40) | ALDH1A1HPGDHSD17B10NPY5RKMT2A | |
| SCHEMBL7151385 | 0.70 | NPY5R (0.38) | ALDH1A1HPGDHSD17B10NPY5RKMT2A | |
| SCHEMBL7013385 | 0.69 | NPY5R (0.38) | ALDH1A1NPY5RTSHR | |
| SCHEMBL7008648 | 0.69 | CYP3A4 (0.33) | NPY5RCYP3A4CYP2D6 | |
| SCHEMBL7145511 | 0.69 | NPY5R (0.35) | HTR7NPY5RKMT2A | |
| SCHEMBL7011132 | 0.67 | CYP1A2 (0.34) | HTR7ALDH1A1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL7007085 | 0.67 | NAAA (0.39) | TSHR | |
| SCHEMBL16860861 | 0.67 | NOTUM (0.36) | ALDH1A1NPY5RMAPK1OPRM1OPRL1 |
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-1129089-A4 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-1129089-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000027845-A1 | SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-18 | — | — | WO | disclosed |