Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1229938 | 0.77 | ALDH1A1 (0.46) | TSHRALDH1A1ACHEMAPTKDM4E | |
| SCHEMBL1229940 | 0.77 | ALDH1A1 (0.46) | TSHRALDH1A1ACHEMAPTKDM4E | |
| SCHEMBL3219076 | 0.76 | TSHR (0.50) | TSHRALDH1A1ACHEMAPTKDM4E | |
| Acrylonitrile SCHEMBL8511291 | 0.76 | ALDH1A1 (0.45) | TSHRALDH1A1ACHEMAPTKDM4E | |
| O-Xylene SCHEMBL10631602 | 0.75 | TSHR (0.53) | TSHRALDH1A1ACHEMAPTKDM4E | |
| O-Xylene SCHEMBL1443689 | 0.73 | TSHR (0.67) | TSHRALDH1A1ACHEMAPTRAB9A | |
| O-Xylene SCHEMBL27496500 | 0.73 | TSHR (0.67) | TSHRALDH1A1ACHEMAPTKDM4E | |
| Acrylonitrile SCHEMBL19691715 | 0.73 | TSHR (0.42) | TSHRALDH1A1ACHEMAPTKDM4E | |
| SCHEMBL31571540 | 0.73 | ALDH1A1 (0.42) | TSHRALDH1A1ACHEMAPTKDM4E | |
| SCHEMBL10396571 | 0.73 | ALDH1A1 (0.42) | TSHRALDH1A1ACHEMAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |