Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688906 | 0.87 | CES2 (0.53) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL9687817 | 0.86 | HPGD (0.46) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL6053475 | 0.84 | CES2 (0.50) | CES2CES1MTNR1BNPC1RAB9A | |
| SCHEMBL9686785 | 0.78 | ESR1 (0.45) | PARP1ALDH1A1 | |
| SCHEMBL9247753 | 0.78 | SMN1; SMN2 (0.46) | PARP1TAS1R3TAS1R1ALDH1A1MAPT | |
| SCHEMBL4637827 | 0.77 | CES2 (0.62) | CES2CES1MTNR1BNPC1RAB9A | |
| SCHEMBL3620490 | 0.75 | CES2 (0.60) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL12463281 | 0.75 | NPC1 (0.53) | CES2CES1MTNR1BNPC1RAB9A | |
| SCHEMBL18636170 | 0.75 | NPC1 (0.56) | CES2CES1MTNR1BNPC1RAB9A | |
| SCHEMBL20040141 | 0.74 | NPC1 (0.51) | CES2CES1MTNR1BNPC1RAB9A |
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-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |