Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.57 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15423734 | 0.89 | ITGA4 (0.58) | ITGA4ITGB7CA12CA1CA7 | |
| SCHEMBL30252297 | 0.87 | ITGA4 (0.58) | ITGA4ITGB7CA12CA1CA7 | |
| SCHEMBL17761771 | 0.87 | ITGA4 (0.58) | ITGA4ITGB7CA12CA1CA7 | |
| SCHEMBL30988967 | 0.85 | ATM (0.55) | CA12CA1CA7CA14ATM | |
| Hydrochloric Acid SCHEMBL10324479 | 0.85 | ITGA4 (0.54) | ITGA4ITGB7CA12CA1CA7 | |
| Hydrochloric Acid SCHEMBL10324478 | 0.85 | ITGA4 (0.54) | ITGA4ITGB7CA12CA1CA7 | |
| SCHEMBL30988969 | 0.82 | SMN1; SMN2 (0.49) | MAPTGAAPOLBTDP1MEN1 | |
| SCHEMBL28293650 | 0.82 | ITGA4 (0.67) | ITGA4ITGB7ATMMAPTPOLB | |
| SCHEMBL8336978 | 0.82 | ITGA4 (0.67) | ITGA4ITGB7ATMMAPTPOLB | |
| SCHEMBL8849130 | 0.82 | ITGA4 (0.52) | ITGA4ITGB7CA12CA1CA7 |
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-2024097744-A2 | DNA-COMPATIBLE WITTIG OLEFINATION OF ON-DNA PEPTIDYL-YLIDES FOR DEVELOPMENT OF ON-DNA PEPTIDOMIMETICS THROUGH DIVERSITY-ORIENTED SYNTHESIS (DOS) | THE ROCKEFELLER UNIVERSITY (US) | 2024-05-10 | — | — | WO | disclosed |