Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5859155 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL5702772 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL6907348 | 0.74 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL9245394 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL5862935 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL8468654 | 0.72 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28444184 | 0.72 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL4083401 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL4067077 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL4084423 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5670436-A | POLYMERIZATION CATALYSTS | HOECHST AG (DE) | 1997-09-23 | — | — | US | claimed |
| US-5670436-A | POLYMERIZATION CATALYSTS | HOECHST AG (DE) | 1997-09-23 | — | — | US | disclosed |