Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL27591711 | 0.90 | ALDH1A1 (0.52) | HPRT1ALDH1A1HPGDCYP3A4HSD17B10 | |
| Naphthylamine SCHEMBL27794071 | 0.88 | ALDH1A1 (0.49) | HPRT1ALDH1A1CYP3A4HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL27573168 | 0.86 | HPRT1 (0.46) | HPRT1ALDH1A1HPGDCYP3A4HSD17B10 | |
| SCHEMBL27440395 | 0.86 | HPRT1 (0.50) | HPRT1ALDH1A1HPGDCYP3A4HSD17B10 | |
| SCHEMBL28209255 | 0.84 | ACHE (0.44) | MAPTCTDSP1ACHEEGFRKIF11 | |
| Benzidine SCHEMBL27870798 | 0.83 | KIF11 (0.43) | HPRT1ALDH1A1CYP3A4HSD17B10TSHR | |
| SCHEMBL2089665 | 0.83 | HPRT1 (0.54) | HPRT1ALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL21176632 | 0.83 | HPRT1 (0.54) | HPRT1ALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL30928215 | 0.83 | HPRT1 (0.54) | HPRT1ALDH1A1HSD17B10TSHRMAPT | |
| SCHEMBL27740850 | 0.83 | HPRT1 (0.54) | HPRT1ALDH1A1HSD17B10TSHRMAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501099-A | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104788328-B | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-104788328-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2015-07-22 | — | — | CN | disclosed |
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-101935301-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2011-01-05 | — | — | CN | disclosed |
| CN-101891680-A | The adjusting control agent of ATP- combination cassette transporters | VERTEX PHARMA | 2010-11-24 | — | — | 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 |