Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | TACR1 | P25103 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8936912 | 0.77 | TACR1 (0.43) | HTTTACR1 | |
| SCHEMBL23683173 | 0.74 | LMNA (0.63) | TRPV6HTTKMT2ALMNAKDM4E | |
| SCHEMBL8936931 | 0.71 | TACR1 (0.40) | TACR1 | |
| SCHEMBL8936863 | 0.71 | TACR1 (0.45) | KMT2AKDM4ETACR1MEN1 | |
| SCHEMBL8936901 | 0.69 | TACR1 (0.72) | TACR1 | |
| SCHEMBL5793302 | 0.68 | TACR1 (0.46) | TACR1POLB | |
| SCHEMBL12017485 | 0.66 | MCL1 (0.52) | HTTALDH1A1POLB | |
| SCHEMBL12987122 | 0.64 | HTT (0.35) | HTTSMN1; SMN2 | |
| SCHEMBL7699858 | 0.64 | TACR1 (0.53) | TACR1 | |
| SCHEMBL23782476 | 0.64 | GAA (0.53) | KMT2AKDM4EBCHEMEN1ROCK1 |
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-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |