Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29132915 | 0.91 | LMNA (0.42) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9496726 | 0.86 | ESR1 (0.58) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL4524002 | 0.84 | ALDH1A1 (0.59) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9495909 | 0.83 | LMNA (0.58) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL21882893 | 0.79 | LMNA (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL671053 | 0.76 | CA12 (0.53) | ESR1TSHRLMNACYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27813064 | 0.75 | CA12 (0.52) | ESR1TSHRLMNACYP1A2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2863872 | 0.72 | SERPINE1 (0.38) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL827346 | 0.71 | HSD17B3 (0.52) | TSHRSMN1; SMN2HPGDRECQLALDH1A1 | |
| SCHEMBL9212901 | 0.70 | SIRT2 (0.40) | ESR1LMNACYP1A2MAPK1SMN1; SMN2 |
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-117304130-A | MCL-1 inhibitors | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-112118845-B | MCL-1 inhibitors | 吉利德科学公司 | 2023-06-13 | — | — | CN | disclosed |