Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK7 | Q13164 | 8/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10067972 | 0.82 | KCNN4 (0.34) | ALDH1A1KMT2ALMNAKCNN4PTGES | |
| SCHEMBL5042176 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KMT2ALMNAKCNN4CYP3A4 | |
| SCHEMBL14286146 | 0.73 | ADRA2A (0.37) | MAPK7MAPK14PTGES | |
| SCHEMBL14286152 | 0.73 | MAPK7 (0.37) | MAPK7MAPK14PTGESYTHDC1 | |
| SCHEMBL14310378 | 0.70 | PTGES (0.37) | ALDH1A1KMT2ALMNAMAPK7CYP3A4 | |
| SCHEMBL14286141 | 0.65 | NPC1 (0.47) | KMT2ALMNAMEN1POLB | |
| SCHEMBL14600769 | 0.65 | CCNE2 (0.34) | PTGES | |
| SCHEMBL14600771 | 0.64 | ADRA2A (0.37) | ALDH1A1KMT2ALMNAPTGES | |
| SCHEMBL14286159 | 0.63 | ALDH1A1 (0.41) | ALDH1A1KMT2ALMNAMAPK14PTGES | |
| SCHEMBL14278719 | 0.63 | OPRD1 (0.37) | ALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |