Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7908933 | 0.88 | TSHR (0.41) | CYP1A2CYP2C9ALDH1A1TSHRMEN1 | |
| SCHEMBL13092201 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP2D6CYP2C9HPGDALDH1A1 | |
| SCHEMBL13092236 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C9HPGDALDH1A1 | |
| SCHEMBL7912463 | 0.84 | CA12 (0.37) | ALDH1A1TSHRLMNARAB9ACA12 | |
| SCHEMBL7909508 | 0.82 | CA12 (0.37) | ALDH1A1TSHRMEN1KMT2ACA12 | |
| SCHEMBL7912598 | 0.80 | CA12 (0.39) | CYP1A2HPGDALDH1A1TSHRMEN1 | |
| SCHEMBL7902195 | 0.79 | ABL1 (0.44) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL7910802 | 0.79 | TSHR (0.39) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7915828 | 0.79 | TSHR (0.39) | ALDH1A1KDM4ETSHRLMNARAB9A | |
| SCHEMBL7908120 | 0.79 | MGLL (0.42) | ALDH1A1MAPTTSHRLMNACA12 |
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 |