Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | HTR1F | P30939 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16636502 | 0.93 | JAK2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16636507 | 0.90 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16636848 | 0.88 | MGAM (0.37) | CYP1A2CYP2C9MGAMGAASI | |
| SCHEMBL16636762 | 0.87 | ADORA2A (0.36) | CYP2C9CYP2C19MEN1KMT2APTGDR2 | |
| SCHEMBL16636738 | 0.83 | CRACR2A (0.39) | MGAMGAASIMGAM2HTR1F | |
| SCHEMBL16636859 | 0.83 | HTR1F (0.38) | MGAMGAASIMGAM2HTR1F | |
| SCHEMBL16636716 | 0.83 | IL2 (0.45) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16636432 | 0.81 | IL2 (0.39) | HTR1FRAB9AIL2 | |
| SCHEMBL16637313 | 0.81 | TP53 (0.42) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16636954 | 0.80 | MEN1 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 | CYP1A2 4570/4885CYP3A4 4329/4885CYP2D6 4537/4885 |
“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.