Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.33 |
| ▸ | WNT1 | P04628 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | KIT | P10721 | 2/20 | 0.33 |
| ▸ | BCR | P11274 | 2/20 | 0.33 |
| ▸ | CLK2 | P49760 | 2/20 | 0.33 |
| ▸ | CLK3 | P49761 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16362104 | 0.80 | PTGER3 (0.40) | EGFRROCK2 | |
| SCHEMBL16362060 | 0.76 | PTGER3 (0.40) | EGFRROCK2 | |
| SCHEMBL17766361 | 0.76 | CYP11B2 (0.39) | STIM1ORAI1ADCY1RAB9ASMN1; SMN2 | |
| SCHEMBL17766354 | 0.75 | CYP11B2 (0.39) | STIM1ORAI1ADCY1RAB9ASMN1; SMN2 | |
| SCHEMBL16381653 | 0.75 | CNR1 (0.35) | — | |
| SCHEMBL16335364 | 0.72 | KDM4E (0.40) | ROCK2RAB9ASMN1; SMN2 | |
| SCHEMBL16335108 | 0.72 | TDP1 (0.40) | EGFRROCK2RPS6KA3ADCY1 | |
| SCHEMBL16362059 | 0.68 | PTGER3 (0.39) | ROCK2HTR1F | |
| SCHEMBL16362422 | 0.66 | PTGER3 (0.39) | ROCK2 | |
| SCHEMBL16362095 | 0.64 | KDM1A (0.39) | STIM1ORAI1DYRK1AABL1GSK3B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725463-B2 | Substituted heterocyclic compounds as CRAC modulators | LUPIN LIMITED (IN) | 2017-08-08 | — | — | US | disclosed |