Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400693 | 0.91 | HSD17B10 (0.55) | ALDH1A1CYP1A2TSHRHSD17B10SLC6A7 | |
| SCHEMBL28406328 | 0.91 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRHSD17B10SLC6A7 | |
| SCHEMBL28956561 | 0.89 | HPGD (0.55) | ALDH1A1CYP1A2TSHRHSD17B10SLC6A7 | |
| SCHEMBL28406350 | 0.89 | ALDH1A1 (0.62) | ALDH1A1CYP1A2TSHRHSD17B10SLC6A7 | |
| SCHEMBL28406248 | 0.88 | PARP1 (0.59) | ALDH1A1CYP1A2TSHRHSD17B10HPGD | |
| SCHEMBL28402624 | 0.87 | NPC1 (0.58) | ALDH1A1TSHRHSD17B10SLC6A7MAPT | |
| SCHEMBL28397143 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HPGDMAPTSMN1; SMN2 | |
| SCHEMBL28406235 | 0.87 | TSHR (0.56) | ALDH1A1CYP1A2TSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL28399007 | 0.87 | TSHR (0.53) | ALDH1A1CYP1A2TSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL28236196 | 0.87 | TSHR (0.53) | ALDH1A1CYP1A2TSHRHSD17B10SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440389-B | 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof | 山东大学 | 2020-05-29 | — | — | CN | disclosed |