Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HA1 | P13674 | 3/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
| ▸ | GABRD | O14764 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL152571 | 0.83 | P4HA1 (0.53) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27191301 | 0.81 | P4HA1 (0.52) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL21787687 | 0.81 | P4HA1 (0.57) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL565981 | 0.81 | HCAR3 (0.58) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27738856 | 0.81 | NAPRT (0.53) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28664825 | 0.81 | GABRP (0.53) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL18740159 | 0.80 | GABRP (0.52) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20046092 | 0.80 | P4HA1 (0.50) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20423258 | 0.79 | P4HA1 (0.48) | P4HA1P4HTMALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL10663641 | 0.79 | HCAR3 (0.56) | P4HA1P4HTMALDH1A1CYP1A2MIF |
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-103420977-B | There is the acetylene-derivative of anti-tumor activity | 上海医药集团股份有限公司 | 2016-06-22 | — | — | CN | disclosed |