Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | VCAM1 | P19320 | 10/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL273093 | 0.82 | TDP1 (0.60) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| SCHEMBL2720971 | 0.81 | TDP1 (0.47) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| SCHEMBL27919377 | 0.80 | TDP1 (0.44) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| SCHEMBL273112 | 0.80 | LMNA (0.45) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL4432331 | 0.80 | MAPT (0.49) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL5710125 | 0.79 | TDP1 (0.43) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| SCHEMBL8187879 | 0.79 | TDP1 (0.43) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL273187 | 0.79 | LMNA (0.44) | TDP1VCAM1MEN1KMT2AMAPK1 | |
| SCHEMBL2476365 | 0.76 | TDP1 (0.40) | TDP1VCAM1MEN1KMT2AALDH1A1 | |
| SCHEMBL278504 | 0.76 | TDP1 (0.62) | TDP1VCAM1MAPK1TSHRALDH1A1 |
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-8133996-B2 | Process for the preparation of ethyl-N-(2,3-dichloro-6-nitrobenzyl)glycine hydrochloride | CIPLA LIMITED (IN) | 2012-03-13 | — | — | US | disclosed |