Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SCN4A | P35499 | 9/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11877948 | 0.97 | CA1 (0.50) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL3088422 | 0.79 | TSHR (0.41) | CA1CA2CA7CA9TSHR | |
| SCHEMBL598366 | 0.79 | CA1 (0.50) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL10547021 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL22454099 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL11860183 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL578005 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL10386817 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL9171976 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL8036283 | 0.74 | CA1 (0.46) | CA1CA2CA7CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6277851-B1 | ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS | ADIR ET COMPAGNIE (FR) | 2001-08-21 | — | — | US | disclosed |