Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL2466537 | 0.88 | ACHE (0.47) | ACHECHRM2KDM4EPKMHTT | |
| Hydrochloric Acid SCHEMBL12813545 | 0.86 | KMT2A (0.49) | ACHECHRM2KDM4EPKMHTT | |
| SCHEMBL531088 | 0.84 | KDM4E (0.51) | ACHEKDM4EPKMHTTKMT2A | |
| SCHEMBL8851234 | 0.83 | TACR1 (0.42) | ACHEKDM4EPKMHTTKMT2A | |
| SCHEMBL9346814 | 0.83 | KDM4E (0.53) | KDM4EPKMHTTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11781117 | 0.83 | HTT (0.50) | KDM4EPKMHTTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11779650 | 0.81 | KDM4E (0.52) | KDM4EPKMHTTKMT2AMEN1 | |
| SCHEMBL8851264 | 0.80 | ADRB2 (0.38) | ACHEKDM4EPKMHTTKMT2A | |
| SCHEMBL4214710 | 0.79 | ACHE (0.47) | ACHEKMT2AMEN1POLBBCHE | |
| Formic Acid SCHEMBL5085570 | 0.79 | KMT2A (0.44) | ACHECHRM2KDM4EPKMHTT |
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-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |