Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4272799 | 0.78 | MCL1 (0.51) | TSHRL3MBTL1MAPK1MCL1LMNA | |
| SCHEMBL2897547 | 0.77 | TSHR (0.53) | TSHRTDP1L3MBTL1MAPK1SMN1; SMN2 | |
| SCHEMBL9567940 | 0.75 | MCL1 (0.49) | TSHRL3MBTL1MAPK1MCL1SMN1; SMN2 | |
| SCHEMBL2910452 | 0.75 | ALDH1A1 (0.52) | TSHRMAPK1MCL1SMN1; SMN2LMNA | |
| SCHEMBL15619314 | 0.75 | MCL1 (0.71) | TSHRL3MBTL1MAPK1MCL1LMNA | |
| SCHEMBL5035719 | 0.73 | MCL1 (0.48) | TSHRTDP1MAPK1MCL1SMN1; SMN2 | |
| SCHEMBL9567941 | 0.73 | MCL1 (0.46) | TSHRL3MBTL1MAPK1MCL1LMNA | |
| SCHEMBL6233543 | 0.71 | TDP1 (0.40) | TSHRTDP1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL9025199 | 0.70 | STING1 (0.54) | TSHRTDP1L3MBTL1MAPK1MCL1 | |
| SCHEMBL33663 | 0.69 | TSHR (1.00) | TSHRTDP1L3MBTL1SMN1; SMN2POLB |
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-7732477-B2 | N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-08 | — | — | US | disclosed |