Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | LCLAT1 | Q6UWP7 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | WNT1 | P04628 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636750 | 0.88 | NPC1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636903 | 0.82 | SCN9A (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636495 | 0.80 | SCN9A (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16637360 | 0.78 | SCN9A (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636674 | 0.76 | IL2 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636832 | 0.74 | NPC1 (0.44) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636782 | 0.72 | GRM5 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16644130 | 0.70 | ADORA1 (0.44) | — | |
| SCHEMBL16636521 | 0.69 | NPC1 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL16636950 | 0.68 | ALOX15 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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 3 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-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 | NPC1 262/4885RAB9A 1174/4885ALDH1A1 4409/4885 |
“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.