Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11458993 | 0.83 | ALDH1A1 (0.32) | TDP1ALDH1A1CYP2C19TP53 | |
| SCHEMBL11477167 | 0.83 | CYP2C19 (0.32) | TDP1ALDH1A1CYP2C19 | |
| SCHEMBL11458348 | 0.83 | TRPA1 (0.36) | TDP1ALDH1A1 | |
| SCHEMBL12202942 | 0.81 | ALDH1A1 (0.42) | TDP1ALDH1A1 | |
| SCHEMBL10835140 | 0.81 | — | — | |
| SCHEMBL10835145 | 0.80 | CA2 (0.41) | TDP1ALDH1A1CA2MMP1MMP2 | |
| SCHEMBL1783617 | 0.78 | — | — | |
| SCHEMBL13103814 | 0.78 | — | — | |
| SCHEMBL13404908 | 0.78 | — | — | |
| SCHEMBL8880751 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4164511-A | Manufacture of N-arylglycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-14 | — | — | US | disclosed |
| US-4134889-A | Manufacture of glycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-16 | — | — | US | disclosed |
| US-4097521-A | Manufacture of amidosulfonic acids | BASF AKTIENGESELLSCHAFT (DT) | 1978-06-27 | — | — | US | disclosed |
| US-4042587-A | PESTICIDES | BASF AKTIENGESELLSCHAFT (DT) | 1977-08-16 | — | — | US | disclosed |