Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29368123 | 0.98 | — | — | |
| SCHEMBL23806 | 0.98 | — | — | |
| SCHEMBL29894511 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| SCHEMBL28027613 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL6309590 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| Ethane SCHEMBL28746668 | 0.93 | ALDH1A1 (0.45) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| Thiophene SCHEMBL27637023 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| SCHEMBL21803454 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| Phosphoric Acid SCHEMBL28904005 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| Formic Acid SCHEMBL29999237 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HSD17B10LMNAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4330382-A2 | IN VITRO DRUGS FROM PRODRUGS AND USE THEREOF | Brandenburgische Technische Universität Cottbus-Senftenberg (DE) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022229050-A2 | IN VITRO DRUGS FROM PRODRUGS AND USE THEREOF | BRANDENBURGISCHE TECHNISCHE UNIVERSITÄT COTTBUS-SENFTENBERG (DE) | 2022-11-03 | — | — | WO | disclosed |