Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | DGKA | P23743 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25283507 | 0.87 | PTGS1 (0.44) | ALDH1A1TSHRLMNAPTGS1MAPT | |
| SCHEMBL27899487 | 0.82 | TSHR (0.30) | TSHR | |
| SCHEMBL11907687 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL444990 | 0.82 | TSHR (0.58) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL27615017 | 0.82 | TSHR (0.32) | TSHRLMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL5979524 | 0.80 | TSHR (0.56) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL5978617 | 0.80 | TSHR (0.56) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL5978450 | 0.80 | TSHR (0.56) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL5976933 | 0.80 | TSHR (0.56) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL5978990 | 0.80 | TSHR (0.56) | ALDH1A1TSHRLMNAMEN1KMT2A |
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-0373579-B1 | MANUFACTURE OF 5-CYANOVALERIC ACID AND ITS ESTERS USING CYCLIC COSOLVENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-08-04 | — | — | EP | disclosed |
| EP-0373579-A1 | Manufacture of 5-cyanovaleric acid and its esters using cyclic cosolvents | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-06-20 | — | — | EP | disclosed |