Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.57 |
| ▸ | FEN1 | P39748 | 1/20 | 0.57 |
| ▸ | F2R | P25116 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.53 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.53 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.53 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877415 | 0.89 | ERCC5 (0.54) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL8161357 | 0.88 | ERCC5 (0.53) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL2255346 | 0.85 | ERCC5 (0.61) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL633349 | 0.85 | ERCC5 (0.55) | ERCC5FEN1F2RTSHRSMN1; SMN2 | |
| SCHEMBL9858659 | 0.84 | F2R (0.44) | F2RTSHRTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4104928 | 0.84 | CYP1A2 (0.46) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL2475812 | 0.82 | F2R (0.43) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL12467964 | 0.82 | ALDH1A1 (0.46) | ERCC5FEN1F2RTSHRSMN1; SMN2 | |
| SCHEMBL13264165 | 0.82 | F2R (0.47) | ERCC5FEN1F2RTSHRTAS1R3 | |
| SCHEMBL8395859 | 0.82 | F2R (0.43) | ERCC5FEN1F2RTSHRTAS1R3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106661017-B | Bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2019-09-24 | — | — | CN | disclosed |
| CN-110016000-A | A kind of penconazole raw medicine and preparation method thereof | 江苏禾本生化有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-106661017-A | novel bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2017-05-10 | — | — | CN | disclosed |
| WO-2000075094-A2 | METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-12-14 | — | — | WO | disclosed |