Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.52 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.42 |
| ▸ | RBP4 | P02753 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CFD | P00746 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL27693457 | 0.90 | MEN1 (0.46) | S1PR1S1PR3RBP4CYP2C9CYP2C19 | |
| SCHEMBL28766939 | 0.86 | S1PR1 (0.43) | S1PR1S1PR3RBP4CYP2C9CYP2C19 | |
| SCHEMBL27693502 | 0.84 | KDM4E (0.44) | KDM4EALDH1A1POLBHPGDHSD17B10 | |
| SCHEMBL27693589 | 0.80 | S1PR1 (0.42) | S1PR1S1PR3RBP4CYP2C9CYP2C19 | |
| SCHEMBL28768803 | 0.80 | CNR2 (0.51) | CYP2C9CYP2C19CYP3A4KDM4EALDH1A1 | |
| SCHEMBL27693559 | 0.79 | KDM4E (0.51) | CYP2C9CYP2C19CYP3A4KDM4EALDH1A1 | |
| SCHEMBL27675320 | 0.79 | ALDH1A1 (0.46) | S1PR1S1PR3KDM4EALDH1A1POLB | |
| SCHEMBL27991300 | 0.78 | KDM4E (0.43) | CYP2C9CYP2C19CYP3A4KDM4EALDH1A1 | |
| SCHEMBL27693503 | 0.78 | CFTR (0.47) | KDM4EALDH1A1POLBHPGDHSD17B10 | |
| SCHEMBL27693495 | 0.78 | LMNA (0.49) | KDM4EALDH1A1POLBHPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |