Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693464 | 0.89 | LMNA (0.44) | LMNAALDH1A1NPSR1KMT2AKDM4E | |
| SCHEMBL27920808 | 0.89 | KDM4E (0.41) | LMNAALDH1A1TP53KMT2AKDM4E | |
| SCHEMBL27693515 | 0.89 | CREBBP (0.46) | LMNAALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL27693550 | 0.89 | NTRK1 (0.43) | LMNAALDH1A1NTRK1CREBBP | |
| SCHEMBL27693577 | 0.88 | LMNA (0.46) | LMNAALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL27693531 | 0.87 | CHRM1 (0.41) | LMNAALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL27675213 | 0.87 | HTT (0.46) | LMNAALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL27675161 | 0.87 | POLB (0.43) | LMNAALDH1A1KMT2AKDM4EPOLB | |
| SCHEMBL27693536 | 0.86 | KDM4E (0.39) | LMNAALDH1A1KMT2AKDM4EPOLB | |
| SCHEMBL27675140 | 0.86 | ALDH1A1 (0.40) | LMNAALDH1A1KMT2AKDM4EPOLB |
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 |