Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.56 |
| ▸ | MAPT | P10636 | 8/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | USP2 | O75604 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | MT-ND4 | P03905 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13056398 | 1.00 | CYP3A4 (0.56) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056517 | 0.95 | CYP3A4 (0.49) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL19828215 | 0.90 | CYP3A4 (0.59) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056397 | 0.90 | CYP3A4 (0.59) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056404 | 0.89 | CYP3A4 (0.58) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13082028 | 0.89 | CYP3A4 (0.66) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL14155415 | 0.87 | CYP3A4 (0.53) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056512 | 0.85 | CYP3A4 (0.52) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056516 | 0.84 | CYP3A4 (0.51) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13056513 | 0.84 | CYP3A4 (0.58) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3564674-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2019-11-06 | — | — | EP | disclosed |
| EP-3276349-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2018-01-31 | — | — | EP | disclosed |