Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MMP2 | P08253 | 6/20 | 0.51 |
| ▸ | MMP3 | P08254 | 5/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14102238 | 0.82 | L3MBTL1 (0.54) | MAPTLMNATP53NPC1TSHR | |
| SCHEMBL21595691 | 0.82 | LMNA (0.66) | ALDH1A1MAPTLMNATP53NPC1 | |
| SCHEMBL19962766 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MAPTMMP2MMP3MMP1 | |
| SCHEMBL21595963 | 0.81 | MEN1 (0.61) | MAPTLMNATP53NPC1TSHR | |
| SCHEMBL20874025 | 0.81 | LMNA (0.49) | ALDH1A1MAPTLMNATP53NPC1 | |
| SCHEMBL21595884 | 0.81 | CYP1A2 (0.50) | ALDH1A1MAPTLMNATP53HRH3 | |
| SCHEMBL22319816 | 0.80 | MEN1 (0.41) | ALDH1A1MAPTMMP2MMP3MMP1 | |
| SCHEMBL7993485 | 0.80 | RAB9A (0.68) | ALDH1A1MAPTLMNATP53NPC1 | |
| SCHEMBL2605873 | 0.79 | MMP2 (0.65) | ALDH1A1MAPTMMP2MMP3MMP1 | |
| SCHEMBL5725197 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPTMMP2MMP3MMP1 |
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-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |