Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL2376586 | 0.80 | KDM4E (0.68) | HTTHRH3NCF1CYP2A13NPC1 | |
| SCHEMBL19603235 | 0.80 | HTT (0.62) | HTTHRH3NCF1CYP2A13CYP2C9 | |
| SCHEMBL30230313 | 0.80 | HTT (0.62) | HTTNPC1SMN1; SMN2RAB9ATP53 | |
| SCHEMBL4943403 | 0.78 | HTT (0.59) | HTTHRH3NCF1CYP2A13NPC1 | |
| SCHEMBL1929649 | 0.77 | HTT (0.58) | HTTHRH3NCF1CYP2A13CYP2C9 | |
| SCHEMBL538318 | 0.77 | HTT (0.58) | HTTHRH3NCF1CYP2A13NPC1 | |
| SCHEMBL1141938 | 0.75 | HRH3 (0.61) | HTTHRH3NCF1CYP2A13NPC1 | |
| SCHEMBL28247345 | 0.73 | HTT (0.55) | HTTHRH3NCF1NPC1SMN1; SMN2 | |
| SCHEMBL19582754 | 0.73 | HTT (0.69) | HTTHRH3NCF1CYP2A13NPC1 | |
| SCHEMBL29417617 | 0.73 | HTT (0.69) | HTTHRH3NCF1CYP2A13NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008520575-A | — | — | 2008-06-19 | — | — | JP | claimed |
| EP-1812012-A2 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Ceptyr, Inc. (US) | 2007-08-01 | — | — | EP | claimed |
| WO-2006055525-A2 | PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | CEPTYR, INC. (US) | 2006-05-26 | — | — | WO | claimed |