Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 7/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27675271 | 0.87 | NPSR1 (0.48) | TSHRNPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL27693573 | 0.85 | CASP3 (0.53) | NPSR1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27693542 | 0.78 | CNR2 (0.45) | ALDH1A1KMT2AHSD17B10LMNAHPGD | |
| SCHEMBL28768803 | 0.75 | CNR2 (0.51) | TSHRALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL27693495 | 0.75 | LMNA (0.49) | ALDH1A1KMT2AHSD17B10LMNAHPGD | |
| SCHEMBL27693559 | 0.74 | KDM4E (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL27675206 | 0.74 | KDM4E (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL27693503 | 0.73 | CFTR (0.47) | ALDH1A1HSD17B10LMNAHPGDKDM4E | |
| SCHEMBL27693487 | 0.73 | LMNA (0.51) | TSHRALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL395838 | 0.73 | NPSR1 (0.61) | TSHRNPSR1ALDH1A1MEN1KMT2A |
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 |