Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | PRKACA | P17612 | 2/20 | 0.58 |
| ▸ | PRKX | P51817 | 2/20 | 0.58 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3872357 | 1.00 | MMP13 (0.68) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL23978716 | 0.90 | MMP13 (0.68) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL3866898 | 0.83 | MMP13 (0.47) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL23978699 | 0.83 | NPC1 (0.59) | APEX1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6355147 | 0.83 | MMP13 (0.68) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL7134254 | 0.83 | MMP13 (0.86) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL30336905 | 0.82 | ROCK2 (0.54) | HPGDRAB9AROCK1ROCK2CYP3A4 | |
| SCHEMBL3867075 | 0.82 | ROCK2 (0.54) | HPGDRAB9AROCK1ROCK2CYP3A4 | |
| SCHEMBL28963736 | 0.82 | HPGD (0.60) | MMP13HPGDLMNAAPEX1RAB9A | |
| SCHEMBL30112098 | 0.82 | HPGD (0.60) | MMP13HPGDLMNAAPEX1RAB9A |
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-4142707-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | The Regents of the University of California (US) | 2023-03-08 | — | — | EP | disclosed |