Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30854357 | 1.00 | MEN1 (0.53) | MEN1KMT2AHPGDERCC5FEN1 | |
| SCHEMBL2057210 | 0.81 | ERCC5 (0.63) | MEN1KMT2AHPGDERCC5FEN1 | |
| SCHEMBL28374331 | 0.81 | HPGD (0.43) | MEN1KMT2AHPGDERCC5FEN1 | |
| SCHEMBL30409701 | 0.81 | ERCC5 (0.63) | MEN1KMT2AHPGDERCC5FEN1 | |
| SCHEMBL28203125 | 0.80 | TSHR (0.48) | MEN1KMT2AHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28912674 | 0.76 | NPC1 (0.50) | MEN1KMT2AHPGDSMN1; SMN2NPC1 | |
| SCHEMBL5489563 | 0.75 | HPGD (0.45) | HPGDERCC5FEN1PARP1ALDH1A1 | |
| SCHEMBL10064202 | 0.74 | MEN1 (0.65) | MEN1KMT2AHPGDSMN1; SMN2NPC1 | |
| SCHEMBL29406761 | 0.73 | RAB9A (0.59) | MEN1KMT2AHPGDERCC5FEN1 | |
| SCHEMBL642345 | 0.73 | RAB9A (0.59) | MEN1KMT2AHPGDERCC5FEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115537405-B | Ketoreductase and application thereof in preparation of (S) -1- (3-chlorophenyl) -1, 3-propanediol | 尚科生物医药（上海）有限公司 | 2024-04-12 | — | — | CN | claimed |
| WO-2024149239-A1 | HETEROAROMATIC CYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊维康医药有限责任公司 | 2024-07-18 | — | — | WO | disclosed |