Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4632364 | 0.85 | DAO (0.53) | DAOCA1CA2CA9LTB4R | |
| SCHEMBL13762986 | 0.75 | TSHR (0.44) | DAOTSHRTDP1L3MBTL1ALDH1A1 | |
| SCHEMBL13145294 | 0.71 | TDP1 (0.40) | DAOTSHRCA1CA2CA9 | |
| SCHEMBL1066576 | 0.71 | TSHR (0.67) | TSHRCA1CA2CA9TDP1 | |
| Hydrochloric Acid SCHEMBL1409425 | 0.69 | TSHR (0.64) | TSHRCA1CA2CA9TDP1 | |
| Water SCHEMBL28780406 | 0.69 | TSHR (0.64) | TSHRCA1CA2CA9TDP1 | |
| SCHEMBL1623066 | 0.69 | TSHR (0.52) | TSHRCA1CA2CA9ALDH1A1 | |
| Bicarbonate SCHEMBL28004703 | 0.68 | TSHR (0.56) | TSHRTDP1L3MBTL1ALDH1A1HTT | |
| SCHEMBL4632348 | 0.68 | TSHR (0.47) | DAOTSHRAGTR1CA1CA2 | |
| SCHEMBL7342809 | 0.68 | TSHR (0.47) | DAOTSHRAGTR1CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581518-B1 | SUBSTITUTED 1-PIPERIDIN-4-YL-4-PYRROLIDIN-3-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-02 | — | — | EP | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |
| US-7795261-B2 | Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-14 | — | — | US | disclosed |
| US-7572786-B2 | Irritable bowel syndrome; tachykinin mediated condition such as schizophrenia, emesis, anxiety, depression, irritable bowel syndrome, circadian rhythm disturbances, pain, neurogenic inflammation, asthma, micturition disorder or nociception | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-08-11 | — | — | US | disclosed |
| US-7572786-B2 | Irritable bowel syndrome; tachykinin mediated condition such as schizophrenia, emesis, anxiety, depression, irritable bowel syndrome, circadian rhythm disturbances, pain, neurogenic inflammation, asthma, micturition disorder or nociception | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-08-11 | — | — | US | disclosed |
| EP-1578425-B1 | SUBSTITUTED 1-PIPERIDIN-3-YL-4-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2007-11-21 | — | — | EP | disclosed |