Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693487 | 0.91 | LMNA (0.51) | CHRM1CASP3LMNAMAOBKMT2A | |
| SCHEMBL27693452 | 0.88 | CHRM1 (0.49) | CHRM1LMNATP53MAOBKMT2A | |
| SCHEMBL28766931 | 0.88 | CHRM1 (0.52) | CHRM1LMNAMAOBKMT2AKDM4E | |
| SCHEMBL27675219 | 0.87 | MAOB (0.48) | CHRM1NPSR1LMNAMAOBKMT2A | |
| SCHEMBL27675257 | 0.85 | CHRM1 (0.55) | CHRM1NPSR1LMNAKDM4E | |
| SCHEMBL27693499 | 0.85 | CHRM1 (0.47) | CHRM1LMNAKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL27675121 | 0.85 | CHRM1 (0.47) | CHRM1LMNAKDM4EHTR6 | |
| SCHEMBL27693574 | 0.85 | MAOB (0.51) | CHRM1LMNAMAOBKMT2AKDM4E | |
| SCHEMBL28766934 | 0.84 | CFTR (0.48) | CHRM1LMNAMAOBKDM4EHTR6 | |
| SCHEMBL27693461 | 0.84 | MAOB (0.48) | CHRM1LMNAMAOBKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |