Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 15/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL1701209 | 0.72 | HSP90AA1 (0.48) | KDM4EALDH1A1HPGDHTTHSD17B10 | |
| SCHEMBL1701249 | 0.67 | KDM4E (0.41) | KDM4EALDH1A1HPGDHSD17B10ADORA2A | |
| SCHEMBL1701438 | 0.66 | HTR7 (0.41) | PIM1KDM4EHPGD | |
| SCHEMBL29643870 | 0.64 | NTRK1 (0.40) | TTKLRRK2NTRK1PIM1ADORA2A | |
| SCHEMBL22890550 | 0.64 | NTRK1 (0.40) | TTKLRRK2NTRK1PIM1ADORA2A | |
| SCHEMBL3256526 | 0.64 | IDO1 (0.61) | TTKLRRK2NTRK1PIM1KDM4E | |
| SCHEMBL29771525 | 0.64 | IDO1 (0.61) | TTKLRRK2NTRK1PIM1KDM4E | |
| SCHEMBL20919925 | 0.63 | DYRK1A (0.46) | — | |
| SCHEMBL12066975 | 0.62 | TTK (0.36) | TTKLRRK2NTRK1PIM1KDM4E | |
| SCHEMBL3775393 | 0.61 | TTK (0.66) | TTKLRRK2NTRK1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2563759-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011139765-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2011-11-10 | — | — | WO | disclosed |