Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 5/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153038 | 0.85 | HTR2A (0.36) | PIN1HTR2AHTR2CLMNAHTR2B | |
| SCHEMBL20152954 | 0.73 | HSD17B10 (0.39) | HTR2AHTR2CCYP2D6ALOX15TSHR | |
| SCHEMBL20153014 | 0.71 | MEN1 (0.38) | HTR2AHTR2CCYP2D6ALOX15TSHR | |
| SCHEMBL20152962 | 0.70 | TP53 (0.39) | CA9HTR2AHTR2CDRD2ALOX15 | |
| SCHEMBL20152960 | 0.70 | ALOX15 (0.39) | HTR2AHTR2CCYP1A2ALOX15TSHR | |
| SCHEMBL1094923 | 0.69 | CA3 (0.43) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL20152922 | 0.68 | PDE1B (0.44) | TSHRKMT2AHTR2B | |
| SCHEMBL2568282 | 0.66 | NUDT1 (0.51) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL20153027 | 0.66 | MEN1 (0.36) | KMT2A | |
| SCHEMBL23003774 | 0.65 | PIN1 (0.50) | PIN1HTR2AHTR2CALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |