Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of 4,4'-Methylenedianiline. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.88 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.62 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.62 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.62 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.62 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 4,4'-Methylenedianiline SCHEMBL2851475 | 1.00 | CYP3A4 (0.88) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL1304762 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL15105282 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL28001 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL3482770 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL8094139 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| SCHEMBL6362775 | 0.94 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL9770941 | 0.90 | CYP3A4 (0.93) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL2529236 | 0.90 | CYP3A4 (0.93) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 | |
| 4,4'-Methylenedianiline SCHEMBL10896251 | 0.90 | CYP3A4 (0.93) | CYP3A4ALDH1A1TDP1TSHRCYP19A1 |
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-6764569-B1 | Adhesive system for form reversible glued joints | DAIMLERCHRYSLER AG (DE) | 2004-07-20 | — | — | US | disclosed |
| EP-0010967-A1 | Compositions useful for curing polyurethane prepolymers, a process for their preparation and curable compositions prepared from them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-05-14 | — | — | EP | disclosed |