Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2598761 | 0.81 | CYP1A2 (0.67) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL6605025 | 0.81 | CYP1A2 (0.67) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL16335088 | 0.81 | CYP1A2 (0.67) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL16335086 | 0.81 | CYP1A2 (0.67) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL1694961 | 0.80 | CYP1A2 (0.65) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL28210950 | 0.80 | CYP1A2 (0.44) | CYP1A2TSHRALDH1A1GPR35CA1 | |
| SCHEMBL8805936 | 0.80 | CYP1A2 (0.65) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL1694959 | 0.80 | CYP1A2 (0.65) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL1694960 | 0.80 | CYP1A2 (0.65) | CYP1A2TSHRALDH1A1MAPTTDP1 | |
| SCHEMBL3990265 | 0.79 | CYP1A2 (0.73) | CYP1A2TSHRALDH1A1MAPTTDP1 |
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-5149890-A | PROCESS FOR THE ISOLATION OF PURE DINITROTOLUENES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-09-22 | — | — | US | disclosed |