Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL177501 | 0.79 | HSP90AA1 (0.47) | TSHRTP53CYP3A4MEN1KMT2A | |
| SCHEMBL110854 | 0.76 | ALDH1A1 (0.57) | TSHRTP53CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL414955 | 0.74 | ALDH1A1 (0.61) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL1124557 | 0.74 | ALDH1A1 (0.48) | TSHRGAANR4A1CYP3A4TUBB4A | |
| SCHEMBL522748 | 0.74 | PPARG (0.41) | CYP3A4ALDH1A1KMT2AMAPTCYP1A2 | |
| SCHEMBL1529024 | 0.74 | NR4A1 (0.38) | GAANR4A1ALDH1A1MEN1KMT2A | |
| SCHEMBL177406 | 0.74 | MCL1 (0.49) | TP53GAAALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL20641579 | 0.72 | ALDH1A1 (0.53) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL14484639 | 0.71 | ALDH1A1 (0.45) | TP53CA12CA1CA2CA7 | |
| SCHEMBL17181780 | 0.71 | ALDH1A1 (0.68) | TSHRCA12CA1CA2CA7 |
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-7645773-B2 | Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase | HOFFMANN-LA ROCHE INC. (US) | 2010-01-12 | — | — | US | disclosed |