Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16644112 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1GAAPIK3CDMKNK1 | |
| SCHEMBL20936832 | 0.74 | ALDH1A1 (0.44) | ALDH1A1PIK3CDMKNK1MKNK2NOS3 | |
| SCHEMBL16644130 | 0.73 | ADORA1 (0.44) | ADORA3ADORA1 | |
| SCHEMBL16636525 | 0.72 | IL2 (0.46) | KDM4EALDH1A1GAAMEN1NPC1 | |
| SCHEMBL16644138 | 0.72 | TDO2 (0.42) | PIK3CDMTORPIK3CA | |
| SCHEMBL16636881 | 0.71 | IL2 (0.38) | KDM4EALDH1A1GAANPC1RAB9A | |
| SCHEMBL16644231 | 0.69 | NOS1 (0.34) | ALDH1A1NOS1 | |
| SCHEMBL19521404 | 0.68 | KDM4E (0.38) | KDM4EALDH1A1PIK3CDCYP3A4MAP4K4 | |
| SCHEMBL10053498 | 0.68 | ALDH1A1 (0.55) | KDM4EALDH1A1GAAPIK3CDMKNK1 | |
| SCHEMBL16644144 | 0.66 | PTK2 (0.33) | KDM4EALDH1A1GAAADORA2AADORA2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611263-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| US-9611263-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| US-20160229845-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | AVENUE CAPITAL MANAGEMENT II, L.P. | 2016-08-11 | — | — | US | disclosed |
| US-20160229845-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | AVENUE CAPITAL MANAGEMENT II, L.P. | 2016-08-11 | — | — | US | disclosed |
| WO-2015054283-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2015-04-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160229845-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | ORAI1, SARAF, RYR2 | KDM4E 4057/4885ALDH1A1 4409/4885GAA 994/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.