Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL607882 | 0.93 | KMT2A (0.42) | KMT2AALDH1A1DGKACES2CES1 | |
| SCHEMBL166345 | 0.92 | — | — | |
| SCHEMBL10367143 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL29104715 | 0.90 | — | — | |
| SCHEMBL11385081 | 0.87 | KMT2A (0.46) | KMT2AALDH1A1ATMESR1TSHR | |
| Chloromethane SCHEMBL18979918 | 0.87 | — | — | |
| SCHEMBL27396842 | 0.85 | KMT2A (0.43) | KMT2AALDH1A1ATMESR1TSHR | |
| SCHEMBL34065 | 0.84 | — | — | |
| Nitrous Acid SCHEMBL28601411 | 0.84 | — | — | |
| SCHEMBL10951377 | 0.82 | KMT2A (0.46) | KMT2AALDH1A1TSHRDGKAHPGD |
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-7323461-B2 | Use of methylene blue and related compounds to prevent or reverse an exaggerated hemodynamic reaction | MONTREAL HEART INSTITUTE (CA) | 2008-01-29 | — | — | US | claimed |
| EP-3497089-A1 | METHOD FOR PRODUCING 4-SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN DERIVATIVES BY CYLISATION OF 2-(2-DIAZONIUM-6-SUBSTITUTED PHENYL)ETHANOL SALTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-06-19 | — | — | EP | disclosed |