Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 6/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7030586 | 1.00 | PTGES (0.52) | PTGESMTNR1ACA12CA1CA2 | |
| SCHEMBL7030594 | 1.00 | PTGES (0.52) | PTGESMTNR1ACA12CA1CA2 | |
| SCHEMBL30105657 | 0.88 | PTGES (0.59) | PTGESMTNR1ACA12CA1CA2 | |
| SCHEMBL30105600 | 0.88 | PTGES (0.59) | PTGESMTNR1ACA12CA1CA2 | |
| SCHEMBL10424853 | 0.87 | PTGES (0.60) | PTGESMTNR1AALOX15HDAC3HDAC4 | |
| SCHEMBL10424852 | 0.87 | PTGES (0.60) | PTGESMTNR1AALOX15HDAC3HDAC4 | |
| SCHEMBL7028418 | 0.85 | MTNR1A (0.68) | PTGESMTNR1AALOX15HDAC3HDAC4 | |
| SCHEMBL7028422 | 0.85 | MTNR1A (0.68) | PTGESMTNR1AALOX15HDAC3HDAC4 | |
| SCHEMBL7028421 | 0.85 | MTNR1A (0.68) | PTGESMTNR1AALOX15HDAC3HDAC4 | |
| SCHEMBL10424644 | 0.84 | MTNR1A (0.67) | PTGESMTNR1AALOX15HDAC3HDAC4 |
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-0736526-B1 | Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant | SHISEIDO CO LTD (JP) | 2003-02-12 | — | — | EP | disclosed |
| US-5849930-A | Pyrazolidine derivative radical scavenger brain-infarction depressant and brain-edema depressant | SHISEIDO CO., LTD. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0736526-A1 | Pyrazolidine derivative, radical scavenger, brain-infarction depressant, and brain-edema depressant | SHISEIDO COMPANY LIMITED (JP) | 1996-10-09 | — | — | EP | disclosed |