Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477363 | 0.85 | CASP1 (0.34) | CHRNB2CHRNA4CASP1KDM4EALDH1A1 | |
| SCHEMBL10581676 | 0.82 | ALDH1A1 (0.42) | ALDH1A1LMNAHPGDGFERCYP3A4 | |
| SCHEMBL8292041 | 0.82 | NOS3 (0.37) | KDM4E | |
| SCHEMBL10582753 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL10582966 | 0.81 | NR4A1 (0.42) | ALDH1A1GFERRECQL | |
| SCHEMBL10399467 | 0.77 | CYP3A4 (0.35) | CASP1KDM4EALDH1A1CASP7L3MBTL1 | |
| SCHEMBL22952259 | 0.73 | KDM4E (0.47) | CASP1KDM4EALDH1A1LMNAHPGD | |
| SCHEMBL9751041 | 0.73 | CYP3A4 (0.35) | ALDH1A1CASP7HSD17B10CYP3A4 | |
| SCHEMBL10400348 | 0.72 | ALOX15 (0.38) | ALDH1A1CYP3A4RECQL | |
| SCHEMBL9751038 | 0.71 | CYP3A4 (0.34) | CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0332038-A2 | Tert-alkyl-phenylenediamines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-09-13 | — | — | EP | disclosed |
| US-4845291-A | ANTIOXIDATNS, CHAIN EXTENDERS FOR POLYURETHANES AND/OR POLYUREAS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-07-04 | — | — | US | disclosed |
| EP-0290962-A2 | Alkenylated phenylenediamines for use in preparing cross linkable condensation polymers | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-11-17 | — | — | EP | disclosed |
| EP-0272650-A1 | Diamino-beta-alkylstyrenes for use in preparing polyurethane/urea systems | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-06-29 | — | — | EP | disclosed |