Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8147513 | 1.00 | CYP3A4 (0.59) | CYP3A4CYP2A6TSHRALDH1A1TDP1 | |
| SCHEMBL11100346 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2A6TSHRALDH1A1TDP1 | |
| SCHEMBL811099 | 0.84 | CYP2A6 (0.56) | CYP3A4CYP2A6ALDH1A1SMN1; SMN2NR4A2 | |
| SCHEMBL15131700 | 0.79 | CYP3A4 (0.61) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL8141575 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP2A6TSHRALDH1A1TDP1 | |
| SCHEMBL8150231 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP2A6TSHRALDH1A1TDP1 | |
| SCHEMBL18623484 | 0.77 | CYP3A4 (0.58) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL28755396 | 0.77 | TERT (0.64) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL22173826 | 0.77 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1TDP1ALOX15 | |
| SCHEMBL15131712 | 0.77 | TERT (0.64) | CYP3A4TSHRALDH1A1TDP1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |