Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 2/20 | 0.33 |
| ▸ | DDX3X | O00571 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4100234 | 1.00 | CYP1A2 (0.38) | CYP1A2KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL6720622 | 0.76 | SIGMAR1 (0.44) | KMT2AALDH1A1SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL11756889 | 0.75 | GPR35 (0.62) | KMT2A | |
| SCHEMBL6848815 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL6847221 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL6724574 | 0.74 | POLB (0.50) | KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL6841993 | 0.73 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL6846381 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL20714982 | 0.73 | CYP1A2 (0.43) | CYP1A2KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL1740852 | 0.73 | CYP1A2 (0.67) | CYP1A2KMT2AALDH1A1SIGMAR1GRIN2D |
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-20090163451-A1 | METHODS FOR TREATING VISCERAL PAIN | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-06-25 | — | — | US | disclosed |