Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 6/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | QDPR | P09417 | 1/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL82406 | 0.92 | SLC18A3 (0.61) | SLC18A3SIGMAR1HTR2CHTR3AQDPR | |
| Hydrochloric Acid SCHEMBL2803065 | 0.90 | HTR2C (0.61) | SLC18A3SIGMAR1HTR2CHTR3AQDPR | |
| Dimethylamine SCHEMBL9618528 | 0.86 | SLC18A3 (0.55) | SLC18A3SIGMAR1HTR2CHTR3AQDPR | |
| SCHEMBL19908643 | 0.86 | HTR3A (0.53) | HTR3ACYP2D6 | |
| SCHEMBL26938733 | 0.86 | HTR3A (0.53) | HTR3ACYP2D6 | |
| SCHEMBL1711100 | 0.86 | HTR3A (0.53) | HTR3ACYP2D6 | |
| Hydrochloric Acid SCHEMBL566689 | 0.85 | HTR3A (0.52) | HTR3ACYP2D6 | |
| SCHEMBL15508750 | 0.84 | HTR3A (0.66) | SLC18A3SIGMAR1HTR2CHTR3A | |
| SCHEMBL14544196 | 0.84 | HTR3A (0.66) | SLC18A3SIGMAR1HTR2CHTR3A | |
| SCHEMBL4676148 | 0.83 | SLC18A3 (0.67) | SLC18A3SIGMAR1HTR2CHTR3AQDPR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655357-B1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO SA (CH) | 2016-06-22 | — | — | EP | disclosed |