Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL299040 | 0.89 | ATM (0.55) | TSHRPOLBHTTUSP2ATM | |
| SCHEMBL1367859 | 0.88 | POLB (0.57) | TSHRCA1CA2CA9PKM | |
| SCHEMBL28507132 | 0.87 | CA1 (0.43) | CA1CA2CA9CA12CA3 | |
| SCHEMBL12615115 | 0.87 | POLB (0.59) | TSHRPOLBALDH1A1HTTUSP2 | |
| SCHEMBL4007349 | 0.85 | LMNA (0.59) | CA1CA2CA9CA12CA3 | |
| SCHEMBL3077040 | 0.85 | POLB (0.56) | TSHRPOLBALDH1A1HTTKDM4E | |
| SCHEMBL4003103 | 0.84 | MEN1 (0.53) | CYP2C19POLBALDH1A1HTTKDM4E | |
| SCHEMBL26923874 | 0.84 | KMT2A (0.44) | CA1CA2CA9PKMPOLB | |
| SCHEMBL4008521 | 0.83 | MEN1 (0.64) | CYP2C19POLBALDH1A1HTTKDM4E | |
| SCHEMBL17394023 | 0.83 | POLB (0.44) | TSHRCA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945632-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |