Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | THPO | P40225 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16515747 | 0.87 | KMT2A (0.43) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL2895602 | 0.84 | KMT2A (0.47) | TACR1KMT2APAX8NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL6545522 | 0.83 | KMT2A (0.46) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL15211767 | 0.80 | NOS1 (0.53) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL13590877 | 0.78 | TAAR1 (0.51) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL16516116 | 0.78 | NOS1 (0.46) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL22238385 | 0.78 | IDO1 (0.37) | TACR1SLC6A4MAPT | |
| SCHEMBL15211305 | 0.77 | TAAR1 (0.50) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL15211722 | 0.74 | CHRM2 (0.53) | TACR1KMT2APAX8NOS1NOS3 | |
| SCHEMBL27988273 | 0.74 | TACR1 (0.39) | TACR1SLC6A4MAPTMTOR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |