Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400521 | 0.86 | TSHR (0.54) | PRKCICTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL8553457 | 0.85 | KDM4E (0.49) | PRKCIKDM4EMAPTCTNNB1WNT3A | |
| SCHEMBL27392330 | 0.85 | PRKCI (0.42) | TDP1PRKCICTNNB1WNT3ATAS1R3 | |
| SCHEMBL3862277 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1RXRASRD5A2 | |
| SCHEMBL1395976 | 0.82 | PRKCI (0.64) | ALDH1A1TDP1MAPK1SRD5A2SRD5A1 | |
| SCHEMBL10992434 | 0.82 | RAB9A (0.51) | ALDH1A1PRKCIKDM4EMAPTCTNNB1 | |
| SCHEMBL28882612 | 0.81 | CA12 (0.44) | ALDH1A1TDP1MAPK1SRD5A2SRD5A1 | |
| Hydrochloric Acid SCHEMBL4894045 | 0.81 | PRKCI (0.62) | ALDH1A1TDP1MAPK1SRD5A2SRD5A1 | |
| SCHEMBL28819116 | 0.78 | PRKCI (0.42) | PRKCICTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL16178527 | 0.77 | HPGD (0.59) | ALDH1A1CYP2C19TSHR |
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-105814040-A | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 癌症研究科技有限公司 | 2016-07-27 | — | — | CN | disclosed |