Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 9/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27876860 | 0.92 | ESR1 (0.43) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 | |
| SCHEMBL28174443 | 0.81 | ACHE (0.43) | ALDH1A1HSD17B10CYP3A4CASP1CASP7 | |
| SCHEMBL4927628 | 0.80 | ESR1 (0.44) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 | |
| SCHEMBL14894801 | 0.76 | ESR1 (0.39) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 | |
| SCHEMBL28034253 | 0.76 | ESR1 (0.41) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 | |
| SCHEMBL16267481 | 0.75 | ESR1 (0.59) | ALDH1A1HSD17B10HIF1AESR1ESR2 | |
| SCHEMBL28158579 | 0.74 | ACHE (0.34) | ALDH1A1HSD17B10HIF1ACYP3A4TDP1 | |
| SCHEMBL2457338 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 | |
| SCHEMBL1155244 | 0.74 | ESR1 (0.58) | ALDH1A1HSD17B10HIF1AESR1ESR2 | |
| SCHEMBL27546516 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006077130-A1 | TRIARYLAMINE DERIVATIVES WITH SPACE-FILLING SIDE GROUPS AND USE THEREOF | SENSIENT IMAGING TECHNOLOGIES GMBH (DE) | 2006-07-27 | — | — | WO | disclosed |