Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3373744 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL3374875 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL4029350 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL6073596 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL3374873 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL6074237 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL6074501 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL9028496 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL27578380 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL4936425 | 0.88 | SLC18A3 (0.47) | CYP1A2CYP2D6CYP2C19TSHRSLC18A3 |
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-1545525-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-11-10 | — | — | EP | disclosed |
| EP-1119356-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-19 | — | — | EP | disclosed |