Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | IL2 | P60568 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27684513 | 0.85 | SIRT3 (0.55) | SIRT3TDP1POLBIMPDH2NPC1 | |
| SCHEMBL1043517 | 0.85 | KDM4C (0.46) | SIRT3TDP1IMPDH2IL2NPC1 | |
| SCHEMBL9413722 | 0.84 | KDM4C (0.46) | SIRT3TDP1POLBNPC1RAB9A | |
| SCHEMBL4139383 | 0.83 | ALDH1A1 (0.55) | SIRT3TDP1IMPDH2IL2NPC1 | |
| SCHEMBL11918912 | 0.81 | MAPT (0.46) | SIRT3TDP1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL15432258 | 0.80 | HPGD (0.49) | SIRT3TDP1IL2NPC1RAB9A | |
| SCHEMBL15432259 | 0.80 | IDO1 (0.44) | SIRT3TDP1IMPDH2NPC1RAB9A | |
| SCHEMBL19151050 | 0.79 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1LMNAPKM | |
| SCHEMBL16303157 | 0.79 | MDM4 (0.46) | IMPDH2NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL5455951 | 0.79 | IL2 (0.40) | SIRT3TDP1IMPDH2IL2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3224252-A1 | SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II | MEDIFRON DBT INC. (KR) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016082930-A1 | SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II | Grünenthal GmbH (DE) | 2016-06-02 | — | — | WO | disclosed |
| EP-2493888-B1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-04-06 | — | — | EP | disclosed |