Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CPB1 | P15086 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.46 |
| ▸ | CASP3 | P42574 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3376268 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL13069095 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL22721975 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL16155576 | 0.84 | CPB1 (0.53) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL6612597 | 0.81 | EPHX1 (0.63) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL4404936 | 0.80 | TSHR (0.47) | ALDH1A1GAACPB1TSHRTACR1 | |
| SCHEMBL5745869 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744386 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744384 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744393 | 0.79 | KDM1A (0.51) | TACR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119356-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-19 | — | — | EP | disclosed |