Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL11346435 | 0.88 | CA12 (0.50) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL31420633 | 0.85 | TDP1 (0.47) | TDP1MEN1GAAKMT2ACA12 | |
| SCHEMBL1206172 | 0.85 | TDP1 (0.60) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL1206871 | 0.82 | TDP1 (0.61) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL28996933 | 0.82 | TDP1 (0.53) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL29565812 | 0.82 | TDP1 (0.53) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL18778561 | 0.82 | TDP1 (0.53) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL1039167 | 0.82 | TDP1 (0.53) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL31703931 | 0.82 | TDP1 (0.57) | DRD2TDP1MEN1GAAKMT2A | |
| SCHEMBL3086368 | 0.82 | TDP1 (0.53) | DRD2TDP1MEN1GAAKMT2A |
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-3036236-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS (DK) | 2017-06-07 | — | — | EP | disclosed |