Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL10519479 | 0.87 | ALDH1A1 (0.48) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL10521301 | 0.87 | ALDH1A1 (0.52) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL10522327 | 0.83 | ALDH1A1 (0.55) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL10522007 | 0.81 | ALDH1A1 (0.48) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Hexamethylbenzene SCHEMBL28025771 | 0.79 | ALDH1A1 (0.80) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL28322104 | 0.77 | ALDH1A1 (0.84) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL30018600 | 0.77 | ALDH1A1 (0.94) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL27684754 | 0.74 | ALDH1A1 (0.89) | ALDH1A1LMNAPOLBACHEHSD17B10 | |
| Nitrobenzene SCHEMBL20411 | 0.74 | — | — | |
| Nitrobenzene SCHEMBL1330714 | 0.74 | — | — |
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-4797146-A | INSECTICIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-01-10 | — | — | US | disclosed |