Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | FKBP1A | P62942 | 5/20 | 0.56 |
| ▸ | ACE | P12821 | 4/20 | 0.53 |
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | REN | P00797 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8198229 | 1.00 | PREP (0.70) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL22209424 | 1.00 | PREP (0.70) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL30051892 | 1.00 | PREP (0.70) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL12525696 | 0.97 | PREP (0.66) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL18620614 | 0.97 | PREP (0.66) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL7871516 | 0.91 | PREP (0.72) | PREPALDH1A1CYP3A4TSHRACE | |
| SCHEMBL22209468 | 0.91 | PREP (0.72) | PREPALDH1A1CYP3A4TSHRACE | |
| SCHEMBL7334484 | 0.91 | PREP (0.72) | PREPALDH1A1CYP3A4TSHRACE | |
| SCHEMBL16000756 | 0.90 | PREP (0.71) | PREPALDH1A1CYP3A4TSHRFKBP1A | |
| SCHEMBL3469545 | 0.90 | PREP (0.65) | PREPALDH1A1CYP3A4TSHRFKBP1A |
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-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0601459-A2 | Sulfonamido heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |