Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27788684 | 1.00 | TAS1R3 (0.40) | TAS1R3TAS1R1TGM2CYP2C19POLB | |
| SCHEMBL399092 | 0.84 | TSHR (0.50) | TAS1R3TAS1R1TGM2CYP2C19ALDH1A1 | |
| SCHEMBL17183807 | 0.76 | TACR3 (0.46) | TGM2CYP2C19POLBALDH1A1CYP3A4 | |
| Phenol SCHEMBL27944565 | 0.74 | TGM2 (0.47) | TGM2CYP2C19ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6535870 | 0.74 | ZDHHC20 (0.47) | TAS1R3TAS1R1TGM2ALDH1A1TSHR | |
| SCHEMBL13879266 | 0.73 | ZDHHC20 (0.50) | TGM2TSHR | |
| Phenol SCHEMBL27652460 | 0.72 | TGM2 (0.52) | TGM2CYP2C19ALDH1A1CYP3A4CYP2C9 | |
| Phenol SCHEMBL7546385 | 0.71 | CA12 (0.48) | TGM2CYP2C19ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7910706 | 0.71 | TACR3 (0.50) | CYP2C19POLBALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL108995 | 0.69 | — | — |
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-104844678-B | Receptor modulators with neuroprotective and memory enhancing activity | 香港科技大学 | 2018-02-09 | — | — | CN | disclosed |