Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8065807 | 0.84 | GPR35 (0.50) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL11289381 | 0.84 | GPR35 (0.46) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL11743092 | 0.84 | GPR35 (0.50) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL7374445 | 0.84 | KIF18A (0.44) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL29135017 | 0.81 | GPR35 (0.41) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL10818750 | 0.80 | ALDH1A1 (0.62) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL213849 | 0.80 | ALDH1A1 (0.62) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| Ammonia Solution, Strong SCHEMBL11695961 | 0.78 | ALDH1A1 (0.60) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| Hydrochloric Acid SCHEMBL10582751 | 0.78 | ALDH1A1 (0.60) | GPR35ALDH1A1TDP1HIF1AHPGD | |
| SCHEMBL4443083 | 0.77 | GPR35 (0.48) | GPR35ALDH1A1TDP1HIF1AHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010044685-A1 | NITROPHENYL MUSTARD ALCOHOLS, THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-04-22 | — | — | WO | disclosed |
| WO-2010044686-A1 | AKR1C3 AS A BIOMARKER, METHODS OF SELECTING AND TREATING PATIENTS BASED UPON AN AKR1C3 PROFILE AND COMPOUNDS FOR USE THEREIN | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-04-22 | — | — | WO | disclosed |