Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 2/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27182384 | 0.88 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL2334452 | 0.88 | CA1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL9687565 | 0.85 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL27486082 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL10960330 | 0.82 | CA1 (0.45) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL9678240 | 0.76 | ESR1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL5695814 | 0.76 | ESR1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL9678182 | 0.76 | ESR1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL9679692 | 0.76 | ESR1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 | |
| SCHEMBL5695807 | 0.76 | ESR1 (0.43) | ALDH1A1LMNAMAPTHTTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1680394-A4 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 2006-10-11 | — | — | EP | disclosed |
| EP-1680394-A1 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | Auckland Uniservices Limited (NZ) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005042471-A1 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 2005-05-12 | — | — | WO | disclosed |