Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749602 | 0.90 | PPARA (0.50) | ALDH1A1TSHRHPGDPOLBPPARA | |
| SCHEMBL9749529 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TSHRHPGDPOLBPPARA | |
| SCHEMBL9749614 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRHPGDPOLBHSD17B10 | |
| SCHEMBL10360761 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TSHRHPGDPOLBHSD17B10 | |
| SCHEMBL9749386 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHRHPGDPOLBHSD17B10 | |
| SCHEMBL9748472 | 0.71 | ALDH1A1 (0.54) | ALDH1A1TSHRHPGDPOLBHSD17B10 | |
| SCHEMBL9749238 | 0.71 | HTT (0.46) | ALDH1A1HTTPOLBPPARAGAA | |
| SCHEMBL717957 | 0.70 | LMNA (0.63) | ALDH1A1TSHRHPGDPOLBPPARA | |
| SCHEMBL11392854 | 0.69 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDPOLBHSD17B10 | |
| SCHEMBL9740014 | 0.69 | HTT (0.41) | ALDH1A1TSHRHPGDHTTPOLB |
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-0194572-B1 | HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-02 | — | — | EP | disclosed |
| US-4762848-A | IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-08-09 | — | — | US | disclosed |
| EP-0194572-A1 | Heterocyclic sulfides, process for their preparation and Medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-17 | — | — | EP | disclosed |