Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | TYMS | P04818 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21611983 | 0.84 | PDE10A (0.48) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL23618336 | 0.84 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL21611980 | 0.83 | NPC1 (0.48) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL30040677 | 0.83 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL25399746 | 0.83 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL30579946 | 0.83 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL30579945 | 0.83 | NPC1 (0.40) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL24027541 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL7801981 | 0.82 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8477873 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020007938-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-01-09 | — | — | WO | disclosed |