Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL6462039 | 0.85 | CHRNB2 (0.48) | AAK1CTSKCTSSRAB9ASYK | |
| SCHEMBL3910417 | 0.84 | CHRNB2 (0.55) | AAK1CTSKCTSSRAB9ASYK | |
| SCHEMBL5224582 | 0.77 | CDK8 (0.36) | AAK1SYK | |
| SCHEMBL5197284 | 0.76 | SYK (0.35) | AAK1CTSKCTSSSYKALDH1A1 | |
| SCHEMBL6451899 | 0.76 | SYK (0.38) | AAK1CTSKNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL617956 | 0.75 | AAK1 (0.39) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL617955 | 0.75 | AAK1 (0.39) | AAK1NPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL31226229 | 0.73 | CYP1A2 (0.41) | AAK1CTSKCTSSCYP1A2CYP3A4 | |
| SCHEMBL28351982 | 0.73 | NPC1 (0.47) | AAK1CTSKCTSSNPC1RECQL | |
| SCHEMBL3016752 | 0.71 | CHRNB2 (0.43) | SMN1; SMN2MAPTCHRNB2CHRNA4CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814852-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1814853-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053082-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006053039-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |