Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8390213 | 0.82 | NOTUM (0.44) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 | |
| SCHEMBL8033674 | 0.82 | ALDH1A1 (0.35) | TSHRTDP1ALDH1A1TRPA1 | |
| SCHEMBL8043481 | 0.78 | CES2 (0.38) | MAPK1TSHR | |
| SCHEMBL8043000 | 0.76 | DCUN1D1 (0.42) | NOTUMMAPK1TDP1ALDH1A1 | |
| SCHEMBL8043756 | 0.72 | ALDH1A1 (0.42) | HSD11B1NOTUMHSD17B10TSHRTDP1 | |
| SCHEMBL197671 | 0.71 | HSD11B1 (0.56) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 | |
| Hydrochloric Acid SCHEMBL29010139 | 0.69 | HSD11B1 (0.54) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 | |
| SCHEMBL8022901 | 0.69 | HSD11B1 (0.54) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 | |
| SCHEMBL29265404 | 0.67 | HSD11B1 (0.44) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 | |
| SCHEMBL13101433 | 0.67 | NOTUM (0.42) | HSD11B1NOTUMCYP3A4CYP1A2ALOX15 |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |