Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 2/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7347574 | 1.00 | KMT2A (0.46) | KMT2AMEN1ALDH1A1TSHRSIGMAR1 | |
| SCHEMBL8703103 | 1.00 | KMT2A (0.46) | KMT2AMEN1ALDH1A1TSHRSIGMAR1 | |
| SCHEMBL1925210 | 0.83 | ACE (0.53) | KMT2AMEN1ALDH1A1TSHRBTK | |
| SCHEMBL1000948 | 0.83 | ACE (0.53) | KMT2AMEN1ALDH1A1TSHRBTK | |
| SCHEMBL23462265 | 0.82 | ATM (0.48) | KMT2AMEN1ALDH1A1TSHRSIGMAR1 | |
| Hydrochloric Acid SCHEMBL10976646 | 0.82 | ACE (0.52) | KMT2AMEN1ALDH1A1TSHRBTK | |
| SCHEMBL29843876 | 0.80 | ACE (0.42) | KMT2AMEN1ALDH1A1TSHRBTK | |
| SCHEMBL1633743 | 0.80 | KMT2A (0.53) | KMT2AMEN1ALDH1A1TSHRSIGMAR1 | |
| SCHEMBL7264251 | 0.79 | ACE (0.49) | KMT2AMEN1ALDH1A1TSHRACE | |
| SCHEMBL58503 | 0.78 | HSD17B10 (0.50) | BTKSMN1; SMN2 |
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 |