Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.36 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8267717 | 0.87 | HTR2C (0.47) | HTR2CUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11923253 | 0.79 | MAPT (0.40) | HTR2CMAPTPOLBALDH1A1CYP1A2 | |
| SCHEMBL11923270 | 0.78 | WDR5 (0.43) | USP2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8267321 | 0.78 | TACR1 (0.37) | HTR2CMAPTUSP2ALDH1A1CYP1A2 | |
| SCHEMBL11923180 | 0.75 | TACR1 (0.49) | HTR2CMAPTUSP2ALDH1A1CYP1A2 | |
| SCHEMBL11923237 | 0.75 | KDM4E (0.38) | HTR2CMAPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11923185 | 0.74 | HCRTR2 (0.36) | HTR2CCCKAR | |
| SCHEMBL8266172 | 0.73 | PIK3CA (0.43) | USP2ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8267649 | 0.70 | MAPT (0.40) | MAPTPOLBALDH1A1CCKARNPC1 | |
| SCHEMBL8267731 | 0.70 | GPBAR1 (0.43) | HTR2CMAPTCCKAR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |