Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
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 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 SCHEMBL2851471 | 0.96 | CYP3A4 (0.58) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| 4,4'-Methylenedianiline SCHEMBL15105282 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL3482770 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL6362775 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL8094139 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL1304762 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| 4,4'-Methylenedianiline SCHEMBL28001 | 0.80 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MEN1 | |
| Diphenylmethane SCHEMBL20640848 | 0.79 | CALM1 (0.57) | ALDH1A1TSHRTDP1MEN1LMNA | |
| Tromethamine SCHEMBL5564327 | 0.77 | ACHE (0.59) | CYP3A4ALDH1A1TDP1MEN1LMNA | |
| 4,4'-Methylenedianiline SCHEMBL5712040 | 0.77 | CYP3A4 (0.93) | CYP3A4ALDH1A1TSHRTDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011055090-A1 | STIFFENER FOR A FLEXIBLE PIPE | TECHNIP FRANCE (FR) | 2011-05-12 | — | — | WO | claimed |
| WO-2011055090-A1 | STIFFENER FOR A FLEXIBLE PIPE | TECHNIP FRANCE (FR) | 2011-05-12 | — | — | WO | disclosed |