Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.65 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4105525 | 0.87 | APLNR (0.69) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL24399602 | 0.84 | APLNR (0.65) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL24999551 | 0.83 | APLNR (0.63) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL19138392 | 0.81 | APLNR (0.61) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL19138442 | 0.81 | APLNR (0.61) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL12261590 | 0.80 | APLNR (0.64) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL783785 | 0.79 | APLNR (1.00) | APLNRTSHRHTR2AHTR2CCA12 | |
| SCHEMBL19138433 | 0.79 | APLNR (0.58) | APLNRTAS1R3TAS1R1TSHRHTR2A | |
| SCHEMBL13402596 | 0.79 | APLNR (0.58) | APLNRTAS1R3TAS1R1TSHRLMNA | |
| SCHEMBL20079182 | 0.79 | APLNR (0.67) | APLNRTSHRHTR2AHTR2C |
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-2020112846-A1 | SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2020-06-04 | — | — | WO | disclosed |