Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13145489 | 0.86 | TSHR (0.50) | TSHRALOX5VCPCA1CA2 | |
| SCHEMBL13763027 | 0.80 | TP53 (0.50) | TDP1L3MBTL1TSHRNAAASMN1; SMN2 | |
| SCHEMBL27420724 | 0.75 | ALOX5 (0.57) | TDP1L3MBTL1ALOX5WRNSMN1; SMN2 | |
| SCHEMBL13145294 | 0.75 | TDP1 (0.40) | TDP1L3MBTL1TSHRNAAAHTT | |
| SCHEMBL12809389 | 0.73 | NR4A2 (0.48) | TSHRHTTSMN1; SMN2ALDH1A1POLB | |
| SCHEMBL1066576 | 0.70 | TSHR (0.67) | TDP1L3MBTL1TSHRNAAASMN1; SMN2 | |
| SCHEMBL13145482 | 0.70 | TSHR (0.41) | TDP1L3MBTL1TSHRNAAAHTT | |
| SCHEMBL12809089 | 0.69 | TSHR (0.48) | TDP1L3MBTL1TSHRNAAASMN1; SMN2 | |
| SCHEMBL13145274 | 0.69 | TSHR (0.40) | TDP1L3MBTL1TSHRNAAAHTT | |
| Water SCHEMBL28780406 | 0.68 | TSHR (0.64) | TDP1L3MBTL1TSHRNAAAHRH4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |