Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23015388 | 0.85 | CYP1A2 (0.49) | MAPK1MAPTCYP1A2GAAKDM4E | |
| SCHEMBL23015317 | 0.82 | MAPK1 (0.41) | MAPK1MAPTCYP1A2GAARECQL | |
| SCHEMBL23015321 | 0.81 | KDM4E (0.41) | GAAKDM4EL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL23015309 | 0.79 | ABCG2 (0.43) | MAPK1MAPTCYP1A2GAAKDM4E | |
| SCHEMBL6219080 | 0.75 | GABRA1 (0.36) | ALDH1A1CYP2C19 | |
| SCHEMBL31140077 | 0.73 | MAPT (0.37) | MAPK1MAPTCYP1A2GAARECQL | |
| SCHEMBL7224848 | 0.73 | GABRG2 (0.43) | MAPTKDM4ESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL6217150 | 0.73 | SMN1; SMN2 (0.33) | MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6222905 | 0.71 | KDM4E (0.43) | MAPK1MAPTCYP1A2GAARECQL | |
| SCHEMBL6217582 | 0.71 | GABRA1 (0.40) | GAAKDM4EALDH1A1HPGD |
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-6642229-B2 | Treatment of adverse neurological conditions | MERCK SHARP & DOHME LTD. | 2003-11-04 | — | — | US | disclosed |