Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 9/20 | 0.58 |
| ▸ | BRD4 | O60885 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | PYGM | P11217 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21061413 | 0.85 | CREBBP (0.57) | CREBBPBRD4ALDH1A1MAPTGAA | |
| SCHEMBL7834528 | 0.81 | BRD4 (0.56) | CREBBPBRD4ALDH1A1MAPTAHR | |
| SCHEMBL21061416 | 0.78 | AHR (0.55) | ALDH1A1MAPTGAAAHRTSHR | |
| SCHEMBL3344154 | 0.78 | BRD4 (0.60) | CREBBPBRD4ALDH1A1MAPTGAA | |
| SCHEMBL3344150 | 0.78 | BRD4 (0.60) | CREBBPBRD4ALDH1A1MAPTGAA | |
| SCHEMBL289302 | 0.78 | AKR1C3 (0.50) | MAPTGAANPC1SMN1; SMN2 | |
| SCHEMBL29443025 | 0.78 | AKR1C3 (0.50) | MAPTGAANPC1SMN1; SMN2 | |
| SCHEMBL10612713 | 0.77 | ALDH1A1 (0.46) | CREBBPBRD4ALDH1A1MAPTGAA | |
| SCHEMBL21061676 | 0.76 | CREBBP (0.54) | CREBBPBRD4ALDH1A1MAPTGAA | |
| SCHEMBL924219 | 0.76 | GAA (0.54) | CREBBPBRD4ALDH1A1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019116325-A1 | TRICYCLIC COMPOUNDS AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | RICHTER GEDEON NYRT. (HU) | 2019-06-20 | — | — | WO | disclosed |
| US-6329389-B1 | HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-11 | — | — | US | disclosed |