Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6697515 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL11459290 | 0.87 | HSP90AA1 (0.50) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL11443205 | 0.87 | LTA4H (0.47) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL11459319 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL1312435 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL28728423 | 0.84 | TSHR (0.67) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6690856 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6690094 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| Hydrochloric Acid SCHEMBL21803765 | 0.82 | ALDH1A1 (0.51) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL3874391 | 0.81 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1MAPTHTTNPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004106291-A1 | HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| WO-2004106292-A1 | HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| US-4219679-A | HIGH CONVERSION | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-26 | — | — | US | disclosed |
| US-4216341-A | Selective hydrogenation of certain nitroaromatic hydroxy substituted acetylenes over a heterogeneous RuS2 catalyst | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-05 | — | — | US | disclosed |
| US-4139561-A | RUTHENIUM HYDROGENATION CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-02-13 | — | — | US | disclosed |