Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 12/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.51 |
| ▸ | CASP1 | P29466 | 11/20 | 0.51 |
| ▸ | CASP7 | P55210 | 11/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.51 |
| ▸ | HPGD | P15428 | 9/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.51 |
| ▸ | GLA | P06280 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.50 |
| ▸ | USP2 | O75604 | 9/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016398 | 0.88 | ALDH1A1 (0.55) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL12485766 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL973782 | 0.80 | MMP2 (0.51) | CYP2C9CYP2C19TSHR | |
| SCHEMBL4562795 | 0.79 | CYP1A2 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4ALOX15 | |
| SCHEMBL4112334 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| Piperazine SCHEMBL6016590 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL4124274 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL6016426 | 0.75 | PTPN11 (0.53) | ALDH1A1CASP1CASP7HSD17B10HPGD | |
| SCHEMBL976971 | 0.74 | MEN1 (0.74) | ALDH1A1CYP1A2HPGDCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL3866277 | 0.74 | PTPN11 (0.52) | ALDH1A1CASP1CASP7HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009114470-A2 | TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2009-09-17 | — | — | WO | disclosed |