Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.57 |
| ▸ | POLQ | O75417 | 6/20 | 0.53 |
| ▸ | DDT | P30046 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 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 | |
|---|---|---|---|---|
| SCHEMBL27958629 | 0.84 | POLQ (0.58) | POLQALDH1A1KDM4EGABRA1GABRG2 | |
| SCHEMBL24501138 | 0.83 | POLQ (0.53) | LDHAPOLQDDTALDH1A1KDM4E | |
| SCHEMBL30640140 | 0.83 | POLQ (0.53) | LDHAPOLQDDTALDH1A1KDM4E | |
| SCHEMBL29914342 | 0.81 | DDT (0.74) | LDHADDTALDH1A1KDM4EPTPN1 | |
| SCHEMBL686861 | 0.81 | DDT (0.74) | LDHADDTALDH1A1KDM4EPTPN1 | |
| SCHEMBL7019233 | 0.79 | GABRP (0.54) | LDHADDTALDH1A1PTPN1KMT2A | |
| SCHEMBL27541520 | 0.79 | DDT (0.51) | LDHADDTALDH1A1PTPN1KMT2A | |
| SCHEMBL27310156 | 0.79 | POLQ (0.41) | LDHAPOLQDDTALDH1A1KDM4E | |
| SCHEMBL24770231 | 0.79 | POLQ (0.50) | LDHAPOLQALDH1A1KDM4EUSP2 | |
| SCHEMBL31032102 | 0.79 | POLQ (0.50) | LDHAPOLQALDH1A1KDM4EUSP2 |
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-103864754-B | Five-membered azole heterocycle compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2016-12-21 | — | — | CN | disclosed |