Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21756734 | 0.83 | NPC1 (0.59) | L3MBTL1HPGDNPC1RAB9AGAA | |
| SCHEMBL21756737 | 0.79 | NPC1 (0.54) | L3MBTL1HPGDNPC1RAB9APOLB | |
| SCHEMBL21756761 | 0.77 | HTT (0.34) | NPC1RAB9AKMT2ASIGMAR1 | |
| SCHEMBL7703356 | 0.74 | RAB9A (0.54) | L3MBTL1NPC1RAB9AKMT2A | |
| SCHEMBL21756742 | 0.69 | SMN1; SMN2 (0.52) | HPGDNPC1EPHX2KMT2ACYP2D6 | |
| SCHEMBL29328826 | 0.69 | CNR1 (0.48) | HPGDNPC1RAB9AKDM4EKMT2A | |
| SCHEMBL9790415 | 0.69 | HDAC3 (0.50) | L3MBTL1HPGDGAAKDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL11205649 | 0.68 | L3MBTL1 (0.56) | L3MBTL1HPGDNPC1RAB9AGAA | |
| SCHEMBL8891452 | 0.68 | RAB9A (0.57) | HPGDNPC1RAB9AGAAKDM4E | |
| SCHEMBL1953254 | 0.66 | L3MBTL1 (0.68) | L3MBTL1HPGDNPC1RAB9AGAA |
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-2020041556-A1 | N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2020-02-27 | — | — | WO | disclosed |