Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910246 | 0.83 | AKR1C3 (0.52) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL378652 | 0.82 | AKR1C3 (0.59) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL7908737 | 0.79 | PANK3 (0.48) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL7899677 | 0.78 | AKR1C3 (0.47) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL3107003 | 0.78 | PTPN1 (0.50) | RAB9AMEN1KMT2A | |
| SCHEMBL7912655 | 0.78 | PANK3 (0.47) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL13092408 | 0.78 | AKR1C3 (0.46) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL3097422 | 0.77 | NPSR1 (0.61) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL378400 | 0.76 | OPRM1 (0.67) | AKR1C3SMN1; SMN2ALDH1A1NPSR1MEN1 | |
| SCHEMBL27607283 | 0.75 | AKR1C3 (0.83) | AKR1C3CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |