Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.41 |
| ▸ | PTGFR | P43088 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7766698 | 1.00 | AKR1C3 (0.57) | AKR1C3TBXAS1TBXA2RPTGER3PTGER2 | |
| SCHEMBL8159971 | 0.84 | TBXAS1 (0.71) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL8159975 | 0.84 | TBXAS1 (0.71) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL7764218 | 0.82 | TBXAS1 (0.68) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL7764222 | 0.82 | TBXAS1 (0.68) | AKR1C3TBXAS1NPC1ALDH1A1RAB9A | |
| SCHEMBL5485410 | 0.79 | AKR1C3 (0.55) | AKR1C3HTT | |
| SCHEMBL11022800 | 0.78 | TBXAS1 (0.60) | AKR1C3TBXAS1 | |
| SCHEMBL11022788 | 0.78 | TBXAS1 (0.60) | AKR1C3TBXAS1 | |
| Hydrochloric Acid SCHEMBL11023874 | 0.77 | TBXAS1 (0.62) | AKR1C3TBXAS1 | |
| Hydrochloric Acid SCHEMBL11023847 | 0.77 | TBXAS1 (0.62) | AKR1C3TBXAS1 |
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-2001087829-A1 | BISACYLGUANIDINE | MERCK PATENT GMBH (DE) | 2001-11-22 | — | — | WO | disclosed |