Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8431688 | 0.88 | GAA (0.46) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL9333324 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL336816 | 0.80 | CA12 (0.43) | ALDH1A1BCHEACHEKMT2ACA12 | |
| Sulfuric Acid SCHEMBL10539106 | 0.79 | GAA (0.46) | ALDH1A1ACHEKMT2ACA12CA1 | |
| SCHEMBL1941777 | 0.79 | LMNA (0.37) | TDP1 | |
| Silver SCHEMBL4326545 | 0.77 | CA2 (0.55) | ALDH1A1CYP2A6BCHEACHECA12 | |
| SCHEMBL28445682 | 0.77 | CA2 (0.55) | ALDH1A1CYP2A6BCHEACHECA12 | |
| SCHEMBL11207524 | 0.77 | ACHE (0.55) | ALDH1A1BCHEACHEKMT2ACA12 | |
| SCHEMBL5831908 | 0.76 | HDAC8 (0.58) | ALDH1A1CYP2A6BCHEACHEKMT2A | |
| Sulfuric Acid SCHEMBL10539125 | 0.76 | GAA (0.43) | ALDH1A1KMT2ACA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5186865-A | Aminoazobenzene derivatives and polymers | ALLIED-SIGNAL INC. (US) | 1993-02-16 | — | — | US | disclosed |
| US-5061404-A | WAVEGUIDES | ALLIED-SIGNAL INC. (US) | 1991-10-29 | — | — | US | disclosed |
| US-5036142-A | Reaction of diazonium salt with addition polymer containing aminophenyl group | ALLIED-SIGNAL INC. (US) | 1991-07-30 | — | — | US | disclosed |
| WO-1991009842-A1 | ELECTRO-OPTICAL MATERIALS AND LIGHT MODULATOR DEVICES CONTAINING SAME | ALLIED-SIGNAL INC. (US) | 1991-07-11 | — | — | WO | disclosed |
| WO-1991009885-A2 | PROCESS FOR MAKING ELECTRO-OPTICALLY ACTIVE POLYMERS | ALLIED-SIGNAL INC. (US) | 1991-07-11 | — | — | WO | disclosed |