Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.47 |
| ▸ | WNT3A | P56704 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6512763 | 0.88 | AHR (0.75) | AHRNPC1RAB9AMAOACTNNB1 | |
| Ethylamine SCHEMBL28652638 | 0.83 | AHR (0.78) | AHRNPC1RAB9AMAOACYP2C19 | |
| SCHEMBL228554 | 0.82 | AHR (1.00) | AHRNPC1RAB9ACYP2C19USP2 | |
| SCHEMBL18805065 | 0.82 | AHR (1.00) | AHRNPC1RAB9ACYP2C19USP2 | |
| Propionic Acid SCHEMBL28028064 | 0.81 | MAOA (0.47) | AHRNPC1RAB9AMAOACTNNB1 | |
| Methane SCHEMBL27929619 | 0.80 | AHR (0.95) | AHRNPC1RAB9ACYP2C19USP2 | |
| N-Propyl Bromide SCHEMBL28747033 | 0.80 | AHR (0.72) | AHRNPC1RAB9AMAOACYP2C19 | |
| Formic Acid SCHEMBL28143741 | 0.80 | AHR (0.78) | AHRNPC1RAB9ACTNNB1WNT3A | |
| Propionic Acid SCHEMBL6859894 | 0.78 | MAOA (0.62) | NPC1RAB9AMAOAESR1KDM4E | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.77 | AHR (0.62) | AHRNPC1RAB9AMAOACTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5493027-A | ANTIEPILEPTIC AGENTS, NEUROGENATIVE DISEASES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1994017042-A1 | ANTICONVULSIVE AGENTS AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1994-08-04 | — | — | WO | disclosed |