Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6578347 | 0.92 | TDP1 (0.51) | CASP3MAPK1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL20556174 | 0.82 | HSD17B10 (0.49) | SMN1; SMN2ALDH1A1TDP1GAA | |
| SCHEMBL8574998 | 0.82 | MAPK1 (0.56) | CASP3MAPK1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL7080833 | 0.81 | ALDH1A1 (0.58) | CASP3SMN1; SMN2ALDH1A1 | |
| SCHEMBL408911 | 0.81 | TDP1 (0.49) | CASP3MAPK1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL20556320 | 0.80 | MMP2 (0.51) | SMN1; SMN2ALDH1A1TDP1GAA | |
| SCHEMBL11209614 | 0.79 | ALDH1A1 (0.54) | MAPK1SMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL7374982 | 0.79 | NPSR1 (0.62) | CASP3SMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL27650814 | 0.79 | ALDH1A1 (0.48) | MAPK1SMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL20773790 | 0.77 | MAPK1 (0.57) | CASP3MAPK1SMN1; SMN2ALDH1A1LMNA |
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-6566384-B1 | For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response | DARWIN DISCOVERY LTD. (GB) | 2003-05-20 | — | — | US | disclosed |
| CN-1227540-A | Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity | DARWIN DISCOVERY CO LTD (GB) | 1999-09-01 | — | — | CN | disclosed |