Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.77 |
| ▸ | CA1 | P00915 | 2/20 | 0.77 |
| ▸ | CA2 | P00918 | 2/20 | 0.77 |
| ▸ | CA9 | Q16790 | 2/20 | 0.77 |
| ▸ | CA6 | P23280 | 1/20 | 0.77 |
| ▸ | P4HB | P07237 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.48 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | FASN | P49327 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 3-Hydroxybenzoic Acid SCHEMBL28174466 | 0.88 | CA12 (0.91) | CA12CA1CA2CA9CA6 | |
| Isophthalic Acid SCHEMBL30440153 | 0.88 | CA12 (0.56) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL40078 | 0.88 | CA12 (1.00) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL29378849 | 0.88 | CA12 (1.00) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL8679140 | 0.88 | CA12 (1.00) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL9153881 | 0.88 | CA12 (1.00) | CA12CA1CA2CA9CA6 | |
| Resorcinol SCHEMBL3169423 | 0.86 | CA12 (0.57) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL381762 | 0.86 | CA12 (0.95) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL20815888 | 0.86 | CA12 (0.95) | CA12CA1CA2CA9CA6 | |
| 3-Hydroxybenzoic Acid SCHEMBL20815892 | 0.86 | CA12 (0.95) | CA12CA1CA2CA9CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |
| CN-1344256-A | (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors | AXYS PHARM INC (US) | 2002-04-10 | — | — | CN | disclosed |
| EP-1140859-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035886-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-06-22 | — | — | WO | disclosed |