Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.59 |
| ▸ | MAPT | P10636 | 8/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | MT-ND4 | P03905 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | USP2 | O75604 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2631491 | 0.95 | CYP3A4 (0.58) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL19828217 | 0.91 | CYP3A4 (0.54) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248245 | 0.89 | CYP3A4 (0.54) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248243 | 0.89 | CYP3A4 (0.52) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13056524 | 0.88 | CYP3A4 (0.51) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL15744050 | 0.88 | CYP3A4 (0.53) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248253 | 0.88 | CYP3A4 (0.51) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248250 | 0.87 | CYP3A4 (0.50) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248252 | 0.86 | CYP3A4 (0.49) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL13248254 | 0.85 | CYP3A4 (0.48) | CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19 |
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-2012003476-A2 | HAPTEN CONJUGATES FOR TARGET DETECTION | VENTANA MEDICAL SYSTEMS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |