Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28684942 | 0.82 | SHBG (0.45) | CYP1A2SHBGEPHX1 | |
| SCHEMBL27932234 | 0.79 | CYP1A2 (0.38) | CYP1A2SHBGMMP1MMP7MMP12 | |
| SCHEMBL14915866 | 0.79 | CYP1A2 (0.38) | CYP1A2SHBGMMP1MMP7MMP12 | |
| SCHEMBL18092825 | 0.79 | CYP1A2 (0.41) | CYP1A2MMP1MMP7MMP12ECE1 | |
| SCHEMBL14914757 | 0.77 | CYP1A2 (0.35) | CYP1A2SHBG | |
| SCHEMBL18106781 | 0.76 | CYP1A2 (0.38) | CYP1A2MMP1MMP7MMP12ECE1 | |
| SCHEMBL15657452 | 0.76 | CYP1A2 (0.35) | CYP1A2SHBG | |
| SCHEMBL14874307 | 0.73 | CYP1A2 (0.36) | CYP1A2SHBGEPHX1SIGMAR1 | |
| SCHEMBL14914859 | 0.73 | CYP1A2 (0.36) | CYP1A2SHBGEPHX1SIGMAR1 | |
| Bromide SCHEMBL9388963 | 0.72 | CYP1A2 (0.35) | CYP1A2SHBGEPHX1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1252926-A3 | Ruthenium comprising catalyst for the hydrogenation of diaminophenylmethane to diaminodicyclohexylhexane | BAYER AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| EP-1252926-A2 | Ruthenium comprising catalyst for the hydrogenation of diaminophenylmethane to diaminodicyclohexylhexane | BAYER AG (DE) | 2002-10-30 | — | — | EP | disclosed |