Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.62 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.62 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP4 | P49662 | 1/20 | 0.47 |
| ▸ | CASP5 | P51878 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30711590 | 0.82 | CHRNB2 (0.93) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| Bromide SCHEMBL28127803 | 0.80 | CHRNB2 (0.89) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| SCHEMBL13293708 | 0.79 | HRH3 (0.64) | KDM4EALDH1A1GFER | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| SCHEMBL16026435 | 0.78 | CHRNB2 (0.85) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| SCHEMBL10294632 | 0.77 | CHRNB2 (0.72) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| SCHEMBL15800693 | 0.77 | CHRNB2 (0.77) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| SCHEMBL5166215 | 0.77 | CHRNB2 (0.96) | CHRNB2CHRNA4DRD2DRD4DRD3 | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL27432542 | 0.77 | CHRNB2 (0.96) | CHRNB2CHRNA4DRD2DRD4DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7273715-B2 | Methods and compositions for identifying therapeutic compounds with GS-9005 ester hydrolase A | GILEAD SCIENCES, INC. (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273715-B2 | Methods and compositions for identifying therapeutic compounds with GS-9005 ester hydrolase A | GILEAD SCIENCES, INC. (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273716-B2 | Methods and compositions for identifying therapeutic compounds with GS-7340 ester hydrolase | GILEAD SCIENCES, INC. (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273716-B2 | Methods and compositions for identifying therapeutic compounds with GS-7340 ester hydrolase | GILEAD SCIENCES, INC. (US) | 2007-09-25 | — | — | US | disclosed |