Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632876 | 0.92 | EPHX1 (0.46) | SIGMAR1HDAC8TDP1EPHX1MEN1 | |
| SCHEMBL1631832 | 0.92 | SIGMAR1 (0.47) | SIGMAR1HDAC8TDP1EPHX1MEN1 | |
| SCHEMBL1633563 | 0.86 | EPHX1 (0.46) | SIGMAR1HDAC8TDP1EPHX1MEN1 | |
| SCHEMBL23314866 | 0.84 | MEN1 (0.51) | SIGMAR1HDAC8EPHX1MEN1KMT2A | |
| SCHEMBL1633733 | 0.84 | MEN1 (0.51) | SIGMAR1HDAC8EPHX1MEN1KMT2A | |
| SCHEMBL1631830 | 0.81 | SIGMAR1 (0.46) | SIGMAR1HDAC8TDP1EPHX1MEN1 | |
| SCHEMBL5280423 | 0.80 | HDAC8 (0.48) | HDAC8TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL5280421 | 0.80 | HDAC8 (0.48) | HDAC8TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL19312008 | 0.78 | HRH3 (0.41) | KMT2ACHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL19192987 | 0.78 | HRH3 (0.41) | KMT2ACHRM2CHRM4CHRM1CHRM3 |
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-7939534-B2 | e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction | CYTOKINETICS, INC. (US) | 2011-05-10 | — | — | US | claimed |
| US-7932270-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2011-04-26 | — | — | US | claimed |