Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26672390 | 0.81 | HTT (0.41) | HTTPOLBPKMALDH1A1GABRP | |
| SCHEMBL8403333 | 0.81 | ALDH1A1 (0.45) | HTTPOLBPKMALDH1A1GABRP | |
| SCHEMBL10661895 | 0.77 | ALDH1A1 (0.47) | HTTPKMALDH1A1CYP3A4GRIN2D | |
| SCHEMBL10416134 | 0.76 | PKM (0.40) | HTTPOLBPKMALDH1A1GABRP | |
| SCHEMBL29141466 | 0.76 | PKM (0.43) | HTTPKMALDH1A1TP53CYP1A2 | |
| SCHEMBL5161255 | 0.74 | HTT (0.69) | HTTPOLBALDH1A1GABRPGABRD | |
| SCHEMBL26963219 | 0.73 | ALDH1A1 (0.55) | POLBPKMALDH1A1CYP3A4ALOX15 | |
| SCHEMBL30626464 | 0.73 | ALDH1A1 (0.55) | POLBPKMALDH1A1CYP3A4ALOX15 | |
| SCHEMBL1202500 | 0.73 | PKM (0.47) | HTTPKMALDH1A1CYP3A4GRIN2D | |
| SCHEMBL27267409 | 0.73 | HCAR3 (0.43) | HTTPKMALDH1A1CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1902159-B | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNISERVICES LTD | 2010-06-09 | — | — | CN | disclosed |
| CN-100546976-C | Alkylating agent and they purposes based on N-methyl-p-nitroaniline as prodrug | AUCKLAND UNISERVICES LTD (NZ) | 2009-10-07 | — | — | CN | disclosed |
| CN-1902159-A | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNISERVICES LTD (NZ) | 2007-01-24 | — | — | CN | disclosed |
| CN-1711236-A | Nitroaniline-based alkylating agents and their use as prodrugs | AUCKLAND UNISERVICES LTD (NZ) | 2005-12-21 | — | — | CN | disclosed |