Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL5544940 | 0.79 | ADRA2A (0.35) | CYP1A2CYP2A6HDAC8ALDH1A1NOTUM | |
| SCHEMBL5537041 | 0.79 | ALDH1A1 (0.33) | HDAC8ALDH1A1PARP10PARP11 | |
| SCHEMBL4528820 | 0.79 | MEN1 (0.42) | MEN1KMT2ACYP1A2CYP2A6HDAC8 | |
| SCHEMBL8890449 | 0.78 | KMT2A (0.53) | MEN1KMT2AACHEALDH1A1TSHR | |
| SCHEMBL5543688 | 0.75 | ALDH1A1 (0.36) | ALDH1A1NOTUM | |
| SCHEMBL2775436 | 0.70 | ALDH1A1 (0.50) | MEN1KMT2ACYP1A2ACHEALDH1A1 | |
| SCHEMBL10904060 | 0.68 | — | — | |
| SCHEMBL5542608 | 0.67 | MEN1 (0.46) | MEN1KMT2ACYP1A2CYP2A6HDAC8 | |
| SCHEMBL14451090 | 0.65 | HPGD (0.36) | MEN1KMT2ACYP1A2CYP2A6ACHE | |
| SCHEMBL8051363 | 0.64 | — | — |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |