Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| Anisole SCHEMBL7290982 | 0.92 | CA4 (0.61) | CA4CES2CES1TSHRTGM2 | |
| Anisole SCHEMBL28780062 | 0.90 | CA4 (0.58) | CA4CES2CES1TSHRTGM2 | |
| Anisole SCHEMBL28210636 | 0.90 | ESR2 (0.56) | CA4ESR2NPC1RAB9AALDH1A1 | |
| Mequinol SCHEMBL1260964 | 0.89 | ESR2 (0.57) | CES2CES1TGM2LTA4HTHRB | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL28835526 | 0.86 | ESR1 (0.58) | CES2CES1ESR2NPC1RAB9A | |
| Anisole SCHEMBL28207979 | 0.84 | CA4 (0.74) | CA4CES2CES1LTA4HESR2 | |
| Anisole SCHEMBL2875269 | 0.84 | CA4 (0.74) | CA4CES2CES1LTA4HESR2 | |
| Phenol SCHEMBL111623 | 0.84 | CA1 (0.58) | CA4CES2TGM2ESR2RAB9A | |
| Phenol SCHEMBL28699432 | 0.84 | CA1 (0.58) | CA4CES2TGM2ESR2RAB9A | |
| Phenol SCHEMBL28959304 | 0.84 | CA1 (0.58) | CA4CES2TGM2ESR2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107051402-A | Particulate water-absorbing agent and its manufacture method | 株式会社日本触媒 | 2017-08-18 | — | — | CN | disclosed |