Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7233780 | 1.00 | ACHE (0.48) | ACHEPTGS2CYP26A1MIFMEN1 | |
| SCHEMBL14741401 | 0.88 | MIF (0.56) | ACHEPTGS2CYP26A1MIFMEN1 | |
| SCHEMBL16428529 | 0.88 | MIF (0.56) | ACHEPTGS2CYP26A1MIFMEN1 | |
| SCHEMBL7238871 | 0.83 | KDM4E (0.46) | ACHEMIFMEN1KMT2AKDM4E | |
| SCHEMBL7233899 | 0.82 | TDP1 (0.54) | ACHECYP26A1MIFMEN1KMT2A | |
| SCHEMBL17571252 | 0.79 | MAOB (0.64) | ACHECYP26A1MIFMEN1KMT2A | |
| SCHEMBL6990658 | 0.79 | MAOB (0.64) | ACHECYP26A1MIFMEN1KMT2A | |
| SCHEMBL7234187 | 0.79 | ACHE (0.44) | ACHEMEN1KMT2AKDM4EMAOB | |
| SCHEMBL6990660 | 0.79 | MAOB (0.64) | ACHECYP26A1MIFMEN1KMT2A | |
| SCHEMBL7233462 | 0.79 | ACHE (0.44) | ACHEMEN1KMT2AKDM4EMAOB |
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-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |