Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13145286 | 0.86 | TDP1 (0.41) | TSHRALOX5VCPCA1CA2 | |
| SCHEMBL12417817 | 0.77 | DPP4 (0.32) | KDM4E | |
| SCHEMBL20078308 | 0.76 | ALDH1A1 (0.55) | TSHRALOX5KMT2A | |
| SCHEMBL19229600 | 0.74 | DPP4 (0.43) | KMT2A | |
| SCHEMBL13145287 | 0.73 | TSHR (0.50) | TSHRALOX5VCPCA1CA2 | |
| SCHEMBL29041352 | 0.72 | TSHR (0.65) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL21146835 | 0.72 | DPP4 (0.36) | — | |
| Isopropyl Alcohol SCHEMBL29076646 | 0.72 | TSHR (0.71) | TSHRALOX5CA1CA2CA7 | |
| SCHEMBL7342809 | 0.71 | TSHR (0.47) | TSHRCA1CA2CA9KDM4E | |
| SCHEMBL13756763 | 0.71 | TSHR (0.47) | TSHRALOX5VCPCA1CA2 |
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 |