Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7593948 | 0.93 | TUBB1 (0.47) | TUBB1ALDH1A1ERN1PDE4APDE4B | |
| 3-Methoxyphenylacetonitrile SCHEMBL103029 | 0.78 | PKM (0.61) | PKMALDH1A1FLT3LMNATDP1 | |
| SCHEMBL7591000 | 0.78 | TUBB1 (0.47) | TUBB1ALDH1A1ERN1LMNATDP1 | |
| SCHEMBL8992958 | 0.77 | LTA4H (0.59) | PKMALDH1A1FLT3LMNAMAOB | |
| 3-Methoxyphenylacetonitrile SCHEMBL29253102 | 0.77 | PKM (0.59) | PKMALDH1A1FLT3LMNATDP1 | |
| 3-Methoxyphenylacetonitrile SCHEMBL27728444 | 0.77 | PKM (0.59) | PKMALDH1A1FLT3LMNATDP1 | |
| SCHEMBL28611584 | 0.75 | TUBB1 (0.74) | TUBB1ALDH1A1ERN1LMNATDP1 | |
| SCHEMBL8992887 | 0.75 | TUBB4A (0.44) | TUBB1PKMALDH1A1FLT3TDP1 | |
| SCHEMBL172939 | 0.75 | ALDH1A1 (0.71) | TUBB1ALDH1A1ERN1PDE4APDE4B | |
| 3-Methoxyphenylacetonitrile SCHEMBL28155308 | 0.75 | PKM (0.58) | PKMALDH1A1FLT3TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3802519-A1 | PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS USEFUL TO TREAT DISEASES CONNECTED TO THE MODULATION OF TLR7 | Apros Therapeutics, Inc. (US) | 2021-04-14 | — | — | EP | disclosed |