Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7377699 | 0.89 | CTSK (0.40) | HDAC6CTSKKDM4ECNR2NPY5R | |
| SCHEMBL7377692 | 0.89 | CTSK (0.40) | HDAC6CTSKKDM4ECNR2NPY5R | |
| SCHEMBL7377703 | 0.83 | CTSK (0.40) | HDAC6CTSKCNR2CCR3 | |
| SCHEMBL7380912 | 0.81 | F2 (0.43) | — | |
| SCHEMBL7380915 | 0.81 | F2 (0.43) | — | |
| SCHEMBL7377714 | 0.76 | CTSK (0.42) | HDAC6CTSKKDM4EALDH1A1RAB9A | |
| SCHEMBL4965135 | 0.75 | SMN1; SMN2 (0.55) | KDM4ECYP1A2CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL7380919 | 0.74 | F2 (0.43) | — | |
| SCHEMBL6978879 | 0.74 | CTSK (0.50) | HDAC6CTSKKDM4ECYP1A2CYP2C19 | |
| SCHEMBL11629096 | 0.68 | SCN1A (0.60) | HDAC6SCN1ASCN2ASCN3AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5827860-A | Peptidyl heterocycles useful in the treatment of thrombin related disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-10-27 | — | — | US | claimed |