Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10507044 | 0.83 | CYP1A2 (0.68) | CYP1A2MAPTP2RY12SMN1; SMN2HPGD | |
| SCHEMBL2835370 | 0.81 | CYP1A2 (0.66) | CYP1A2MAPTP2RY12HPGDCNR2 | |
| SCHEMBL23767750 | 0.79 | CYP4F2 (0.47) | MAPTCYP4F2CYP4A11NPC1RAB9A | |
| SCHEMBL22940135 | 0.77 | CYP1A2 (0.59) | CYP1A2MAPTL3MBTL1SCN10AKDM4E | |
| SCHEMBL22939960 | 0.77 | CYP1A2 (0.59) | CYP1A2MAPTSMN1; SMN2HPGDGAA | |
| SCHEMBL185177 | 0.75 | CYP1A2 (0.86) | CYP1A2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22070646 | 0.74 | CYP1A2 (0.59) | CYP1A2MAPTCYP4F2CYP4A11SMN1; SMN2 | |
| SCHEMBL1478915 | 0.74 | CYP1A2 (1.00) | CYP1A2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25002893 | 0.74 | NPC1 (0.55) | CYP1A2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8258783 | 0.74 | CYP1A2 (0.62) | CYP1A2MAPTNPC1RAB9APKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021019051-A1 | INHIBITORS OF HUMAN ATGL | Karl-Franzens-Universität Graz (AT) | 2021-02-04 | — | — | WO | disclosed |