Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12774140 | 0.93 | TP53 (0.42) | TP53TDP1MGLLCHRM1SMN1; SMN2 | |
| SCHEMBL12774086 | 0.87 | CYP1A2 (0.37) | TP53TDP1CHRM1SMN1; SMN2L3MBTL3 | |
| SCHEMBL12774129 | 0.84 | HTR4 (0.42) | TP53HTR4TDP1CHRM1SMN1; SMN2 | |
| SCHEMBL12774050 | 0.83 | CYP1A2 (0.40) | TP53TDP1CHRM1SMN1; SMN2L3MBTL3 | |
| SCHEMBL13601528 | 0.81 | TP53 (0.43) | TP53MGLLSMN1; SMN2PAOXALDH1A1 | |
| SCHEMBL13601439 | 0.77 | POLB (0.43) | TP53MGLLSMN1; SMN2L3MBTL1HRH3 | |
| SCHEMBL12881438 | 0.77 | TP53 (0.47) | TP53TDP1CHRM1SMN1; SMN2GAA | |
| SCHEMBL12774197 | 0.76 | CHRM1 (0.38) | TP53TDP1CHRM1SMN1; SMN2L3MBTL3 | |
| SCHEMBL12774124 | 0.76 | HRH3 (0.42) | TP53SMN1; SMN2HRH3ACHEMAPK1 | |
| SCHEMBL12774104 | 0.76 | TP53 (0.49) | TP53TDP1SMN1; SMN2L3MBTL3L3MBTL1 |
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-7897603-B2 | Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-01 | — | — | US | disclosed |