Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29966872 | 0.85 | TUBB4A (0.42) | KMT2AALDH1A1TSHRHTR1BCYP1A2 | |
| SCHEMBL29966906 | 0.84 | PKM (0.41) | KMT2AALDH1A1PKMAURKAHTR1B | |
| SCHEMBL6098252 | 0.84 | CASP1 (0.46) | ALDH1A1LMNADRD4DRD3HPGDS | |
| SCHEMBL6190684 | 0.81 | PKM (0.56) | KMT2AALDH1A1GAAHPGDTSHR | |
| SCHEMBL31458574 | 0.81 | PKM (0.56) | KMT2AALDH1A1GAAHPGDTSHR | |
| SCHEMBL29966571 | 0.80 | PTGS2 (0.42) | HTR1BKDM4E | |
| SCHEMBL6099297 | 0.80 | PTGS2 (0.42) | HTR1BKDM4E | |
| SCHEMBL3374948 | 0.76 | HTR1A (0.46) | KMT2AALDH1A1TSHRPKMAURKA | |
| SCHEMBL15529093 | 0.76 | GPR84 (0.38) | KMT2AALDH1A1TSHRPKMAURKA | |
| SCHEMBL25156303 | 0.76 | KMT2A (0.52) | KMT2AALDH1A1HPGDTSHRLMNA |
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-115260173-A | Cyclopentanoindole branched-chain acid derivative and preparation method and application thereof | 厦门宝太生物科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |