Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 4/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPC | P11150 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AADAT | Q8N5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16238289 | 0.95 | IDH2 (0.40) | IDH2KMONOTUMTRPA1TRPV1 | |
| SCHEMBL16238287 | 0.95 | IDH2 (0.40) | IDH2KMONOTUMTRPA1TRPV1 | |
| SCHEMBL19699081 | 0.84 | IDH2 (0.46) | IDH2TRPV1ALDH1A1 | |
| SCHEMBL19689802 | 0.81 | KDM1A (0.41) | IDH2KMONOTUMKDM1AALDH1A1 | |
| SCHEMBL17618792 | 0.81 | CA2 (0.45) | IDH2TRPV1 | |
| SCHEMBL17618348 | 0.80 | IDH2 (0.45) | IDH2TRPV1ALDH1A1 | |
| SCHEMBL16775953 | 0.79 | TRPV1 (0.44) | IDH2KMOTRPV1KDM4EALDH1A1 | |
| SCHEMBL19689772 | 0.79 | CNR2 (0.43) | IDH2KMONOTUMKDM1AALDH1A1 | |
| SCHEMBL19865056 | 0.79 | IDH2 (0.38) | IDH2KMONOTUMKDM1ALIPG | |
| SCHEMBL17618775 | 0.78 | TRPV4 (0.45) | IDH2LIPGNPC1KDM4E |
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-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |