Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4658055 | 0.96 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL6405854 | 0.93 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL5106226 | 0.84 | LMNA (0.46) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL28040672 | 0.83 | ALDH1A1 (0.53) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL28290292 | 0.82 | NPSR1 (0.56) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL903286 | 0.82 | TDP1 (0.48) | ALDH1A1TDP1MAPTCYP1A2KMT2A | |
| SCHEMBL28744999 | 0.81 | ALDH1A1 (0.55) | CYP3A4TSHRALDH1A1TDP1KAT2B | |
| SCHEMBL12527468 | 0.81 | ALDH1A1 (0.49) | CYP3A4TSHRALDH1A1TDP1MAPT | |
| SCHEMBL16975448 | 0.80 | ALDH1A1 (0.56) | CYP3A4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL10340437 | 0.78 | ALDH1A1 (0.58) | CYP3A4TSHRALDH1A1TDP1LMNA |
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-107531645-A | The inhibitor of gangrenosum acne apoptosis | 催化剂治疗私人有限公司 | 2018-01-02 | — | — | CN | disclosed |