Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | MEF2D | Q14814 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | S100B | P04271 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27816894 | 0.86 | AOC3 (0.39) | ALDH1A1L3MBTL1LOXL2TDP1TSHR | |
| SCHEMBL3510031 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4THRBTHRAL3MBTL1 | |
| Tert-Butyl Formate SCHEMBL27795934 | 0.80 | KMT2A (0.40) | ALDH1A1L3MBTL1LOXL2MEN1KMT2A | |
| Benzylamine SCHEMBL27587164 | 0.78 | LOXL2 (0.54) | CYP3A4LOXL2TDP1TSHR | |
| Tert-Butyl Formate SCHEMBL27795935 | 0.78 | TDP1 (0.42) | ALDH1A1CYP3A4LOXL2TDP1PNMT | |
| SCHEMBL27661141 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4LOXL2TDP1TSHR | |
| Tert-Butyl Formate SCHEMBL27816866 | 0.77 | TAAR1 (0.46) | ALDH1A1LOXL2TDP1PNMTENPP2 | |
| Tert-Butyl Formate SCHEMBL27599551 | 0.77 | TDP1 (0.56) | LOXL2TDP1KDM4EMAPT | |
| Tert-Butyl Formate SCHEMBL28788527 | 0.74 | HTR6 (0.41) | LOXL2TDP1PNMTENPP2 | |
| SCHEMBL27571569 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4THRBTHRALOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101821238-A | Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) | COMENTIS INC | 2010-09-01 | — | — | CN | disclosed |