Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8770174 | 0.84 | UPP1 (0.42) | ALDH1A1HPGDPKMMEN1KMT2A | |
| Hept SCHEMBL384288 | 0.81 | UPP1 (0.48) | ALDH1A1HPGDCYP2C9MEN1KMT2A | |
| SCHEMBL7213302 | 0.78 | MAPK1 (0.44) | ALDH1A1HPGDPKMCYP2C9MEN1 | |
| SCHEMBL7215330 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HPGDPKMCYP2C9KMT2A | |
| SCHEMBL7015162 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HPGDPKMCYP2C9MEN1 | |
| SCHEMBL7260700 | 0.74 | ALDH1A1 (0.36) | ALDH1A1HPGDPKMTSHRLMNA | |
| SCHEMBL7213295 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HPGDPKMMEN1POLB | |
| SCHEMBL7219920 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HPGDPKMCYP2C9MEN1 | |
| SCHEMBL7219572 | 0.72 | ALDH1A1 (0.39) | ALDH1A1HPGDCYP2C9MEN1POLB | |
| Hept SCHEMBL1732034 | 0.72 | UPP1 (0.40) | ALDH1A1HPGDPKMMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37979-E1 | Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof | MITSUBISHI CHEMICAL CORPORATION | 2003-02-04 | — | — | US | disclosed |
| EP-0829476-A2 | 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof | Mitsubishi Chemical Corporation (JP) | 1998-03-18 | — | — | EP | disclosed |
| US-5461060-A | Antiretroviral activity | MITSUBISHI KASEI CORPORATION (JP) | 1995-10-24 | — | — | US | disclosed |
| EP-0420763-A2 | 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof | Mitsubishi Chemical Corporation (JP) | 1991-04-03 | — | — | EP | disclosed |