Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL13763145 | 0.86 | TSHR (0.56) | TSHRTDP1L3MBTL1ALDH1A1DAO | |
| SCHEMBL13145294 | 0.80 | TDP1 (0.40) | TSHRTDP1L3MBTL1ALDH1A1DAO | |
| SCHEMBL1066576 | 0.76 | TSHR (0.67) | TSHRTDP1L3MBTL1ALDH1A1NAAA | |
| SCHEMBL12809367 | 0.75 | DAO (0.40) | TSHRTDP1L3MBTL1ALDH1A1DAO | |
| Hydrochloric Acid SCHEMBL1409425 | 0.74 | TSHR (0.64) | TSHRTDP1L3MBTL1ALDH1A1NAAA | |
| Water SCHEMBL28780406 | 0.74 | TSHR (0.64) | TSHRTDP1L3MBTL1ALDH1A1NAAA | |
| SCHEMBL14003858 | 0.73 | CALM1 (0.50) | ALDH1A1DAOLMNAKDM4EPOLB | |
| SCHEMBL13763027 | 0.72 | TP53 (0.50) | TSHRTDP1L3MBTL1ALDH1A1LMNA | |
| SCHEMBL14327850 | 0.71 | TSHR (0.48) | TSHRTDP1L3MBTL1ALDH1A1NAAA | |
| SCHEMBL28506052 | 0.71 | KCNH2 (0.57) | TSHRTDP1L3MBTL1ALDH1A1NAAA |
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-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 |