Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL121801 | 0.83 | TAAR1 (0.43) | TAAR1KDM4EALDH1A1TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL29184016 | 0.80 | TAAR1 (0.41) | TAAR1KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL11029574 | 0.80 | TAAR1 (0.41) | TAAR1KDM4EALDH1A1TSHRGAA | |
| SCHEMBL111658 | 0.79 | TAAR1 (0.47) | TAAR1KDM4ECYP3A4ALDH1A1TSHR | |
| SCHEMBL8370064 | 0.77 | TAAR1 (0.41) | TAAR1KDM4ECYP3A4ALDH1A1TSHR | |
| SCHEMBL1374604 | 0.77 | TAAR1 (0.45) | TAAR1KDM4ECYP3A4ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL3451387 | 0.76 | TAAR1 (0.39) | TAAR1KDM4ECYP3A4ALDH1A1TSHR | |
| SCHEMBL4243083 | 0.74 | EED (0.41) | TAAR1KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL3024241 | 0.74 | ALDH1A1 (0.36) | ALDH1A1BACE1 | |
| SCHEMBL3304485 | 0.74 | TAAR1 (0.38) | TAAR1KDM4EALDH1A1TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021137665-A1 | 1, 2, 3-TRIAZOLE DERIVATIVE COMPOUND AS HSP90 INHIBITOR, AND USE THEREOF | 이화여자대학교 산학협력단 | 2021-07-08 | — | — | WO | disclosed |
| WO-2009156072-A1 | SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-12-30 | — | — | WO | disclosed |