Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1023276 | 0.83 | HSD11B1 (0.60) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL3154297 | 0.83 | ALDH1A1 (0.52) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL12208260 | 0.83 | HSD11B1 (0.56) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL27579582 | 0.82 | HSD11B1 (0.54) | HSD11B1CA1CA2CA5ACA9 | |
| Hydrochloric Acid SCHEMBL3928206 | 0.82 | ALDH1A1 (0.50) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL27736519 | 0.80 | HSD11B1 (0.61) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL27539600 | 0.80 | HSD11B1 (0.53) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL10886554 | 0.79 | TSHR (0.52) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL5186052 | 0.79 | HSD11B1 (0.49) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL1648359 | 0.79 | TDP1 (0.48) | HSD11B1CA1CA2CA5ACA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1620412-A2 | HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF | Rigel Pharmaceuticals, Inc. (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099165-A2 | HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF | RIGEL PHARMACEUTICALS, INC. (US) | 2004-11-18 | — | — | WO | disclosed |