Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349868 | 0.81 | CRHR1 (0.35) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL9348450 | 0.80 | ALDH1A1 (0.34) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL9348359 | 0.80 | ALDH1A1 (0.41) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL9349724 | 0.78 | PTPN1 (0.47) | CYP3A4SMN1; SMN2CA1CA2PTPN1 | |
| SCHEMBL9348405 | 0.77 | CYP3A4 (0.37) | CYP3A4CA1CA2CA9CYP1A2 | |
| SCHEMBL4002789 | 0.76 | ALDH1A1 (0.46) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL9352152 | 0.74 | MAPT (0.41) | CYP3A4MAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7952922 | 0.72 | ALDH1A1 (0.46) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL16011496 | 0.71 | ERN1 (0.41) | CYP3A4USP2MAPK1SMN1; SMN2CA12 | |
| SCHEMBL2090427 | 0.71 | ALDH1A1 (0.40) | CYP3A4USP2MAPK1SMN1; SMN2CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5296602-A | Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-03-22 | — | — | US | disclosed |