Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16781990 | 0.91 | CNR1 (0.56) | HDAC4HDAC7HDAC5S1PR1S1PR3 | |
| SCHEMBL467546 | 0.82 | HDAC4 (0.59) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| SCHEMBL933979 | 0.82 | HDAC4 (0.59) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| SCHEMBL3739983 | 0.80 | HDAC4 (0.57) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| SCHEMBL10882007 | 0.80 | BRD4 (0.63) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| Hydrochloric Acid SCHEMBL933980 | 0.80 | HDAC4 (0.57) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| SCHEMBL9337191 | 0.77 | CNR1 (0.56) | HDAC4HDAC7HDAC5S1PR1S1PR3 | |
| SCHEMBL2848402 | 0.77 | HDAC4 (1.00) | HDAC4HDAC7HDAC5BRD4S1PR1 | |
| SCHEMBL5843647 | 0.76 | ESR1 (0.48) | CNR1TSHRALOX15HIF1ATDP1 | |
| SCHEMBL2542929 | 0.75 | HDAC4 (0.47) | HDAC4HDAC7HDAC5BRD4S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4344954-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-17 | — | — | US | disclosed |
| US-4169951-A | PROCESS FOR THE PRODUCTION OF SUBSTITUTED PYRIDINE (B) | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-10-02 | — | — | US | disclosed |