Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28406350 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL28397138 | 0.87 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL28406333 | 0.83 | GAA (0.58) | ALDH1A1LMNAHTTKDM4ECYP1A2 | |
| SCHEMBL28956561 | 0.82 | HPGD (0.55) | ALDH1A1LMNANPC1RAB9ACYP1A2 | |
| SCHEMBL28400693 | 0.82 | HSD17B10 (0.55) | ALDH1A1KMT2AMEN1CYP1A2HPGD | |
| SCHEMBL18473765 | 0.82 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2LMNANPC1TP53 | |
| SCHEMBL9359712 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KMT2ASMN1; SMN2LMNANPC1 | |
| SCHEMBL28399007 | 0.80 | TSHR (0.53) | ALDH1A1PKMKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28406235 | 0.80 | TSHR (0.56) | ALDH1A1PKMKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28236196 | 0.80 | TSHR (0.53) | ALDH1A1PKMKMT2AMEN1SMN1; 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 |