Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL14816086 | 0.97 | TSHR (0.36) | GPR84FFAR1FFAR4TSHRALDH1A1 | |
| Ethylene Glycol SCHEMBL6115701 | 0.87 | TSHR (0.39) | TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL5792196 | 0.85 | TSHR (0.47) | GPR84FFAR1FFAR4TSHRALDH1A1 | |
| SCHEMBL28838462 | 0.84 | MAPT (0.39) | TSHRALDH1A1CYP3A4SMN1; SMN2LMNA | |
| 1,6-Hexanediol SCHEMBL5792195 | 0.83 | GPR84 (0.42) | GPR84FFAR1FFAR4TSHRALDH1A1 | |
| 1,3-Propanediol SCHEMBL4394586 | 0.83 | TSHR (0.33) | TSHR | |
| SCHEMBL35719 | 0.81 | — | — | |
| SCHEMBL8178199 | 0.79 | GPR84 (0.44) | GPR84FFAR1FFAR4TSHRALDH1A1 | |
| SCHEMBL10322566 | 0.79 | GPR84 (0.44) | GPR84FFAR1FFAR4TSHRALDH1A1 | |
| SCHEMBL8747683 | 0.79 | GPR84 (0.44) | GPR84FFAR1FFAR4TSHRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581465-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU Services, Inc. (US) | 2005-10-05 | — | — | EP | claimed |
| WO-2004058701-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU SERVICES, INC. (US) | 2004-07-15 | — | — | WO | claimed |
| US-20040121435-A1 | Biocatalytic preparation of enantiomerically enriched aminopentanenitrile | PFIZER INC. | 2004-06-24 | — | — | US | claimed |
| US-7067291-B2 | Biocatalytic preparation of enantiomerically enriched aminopentanenitrile | PFIZER INC. (US) | 2006-06-27 | — | — | US | disclosed |
| EP-1581465-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU Services, Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004058701-A2 | BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE | PCBU SERVICES, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| US-20040121435-A1 | Biocatalytic preparation of enantiomerically enriched aminopentanenitrile | PFIZER INC. | 2004-06-24 | — | — | US | disclosed |