Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1653 | 0.97 | ALDH1A1 (0.55) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL10325242 | 0.88 | TRPA1 (0.48) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL2145 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL2643014 | 0.81 | MIF (0.50) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL17178869 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL15506263 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL19611522 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL9120248 | 0.79 | HTR2A (0.48) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL2098956 | 0.79 | TDP1 (0.48) | ALDH1A1TRPA1HPGDCYP3A4MIF | |
| SCHEMBL3373294 | 0.79 | TP53 (0.46) | ALDH1A1TRPA1HPGDCYP3A4MIF |
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 |
|---|---|---|---|---|---|---|---|
| EP-2790686-B1 | TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM | Zilentin AG (CH) | 2021-03-10 | — | — | EP | claimed |
| EP-1951702-A2 | DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS | NeuroTherapeutics Pharma, Inc. (US) | 2008-08-06 | — | — | EP | claimed |
| WO-2007047447-A2 | DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2007-04-26 | — | — | WO | claimed |