Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8632213 | 0.87 | SLC2A1 (0.43) | ALDH1A1KDM4EMAPTLMNAMEN1 | |
| SCHEMBL8634909 | 0.87 | KDM4E (0.39) | ALDH1A1HSD17B10KDM4EMAPTHRH3 | |
| SCHEMBL8633634 | 0.84 | CYP2C9 (0.46) | ALDH1A1KDM4EMAPTHRH3TSHR | |
| SCHEMBL8636233 | 0.81 | CHRM1 (0.39) | KDM4EMAPTHRH3TSHRGAA | |
| SCHEMBL8634772 | 0.80 | GAA (0.39) | ALDH1A1KDM4EMAPTHRH3TSHR | |
| SCHEMBL8631971 | 0.79 | ITGB3 (0.40) | ALDH1A1KDM4EMAPTLMNAHTT | |
| SCHEMBL8635770 | 0.79 | ROCK2 (0.49) | ALDH1A1MAPTKMT2ANPC1TSHR | |
| SCHEMBL8635264 | 0.76 | CYP2C9 (0.44) | ALDH1A1KDM4EMAPTHRH3TSHR | |
| SCHEMBL8632705 | 0.74 | CYP2C9 (0.42) | ALDH1A1KDM4EMAPTNPSR1HRH3 | |
| SCHEMBL8634057 | 0.73 | CYP2C9 (0.43) | ALDH1A1KDM4EMAPTHRH3TSHR |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |