Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 4/20 | 0.46 |
| ▸ | GCGR | P47871 | 6/20 | 0.43 |
| ▸ | GIPR | P48546 | 3/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | NME4 | O00746 | 1/20 | 0.41 |
| ▸ | GCDH | Q92947 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8867446 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL8867537 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL8867799 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL9235389 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL8866119 | 0.81 | S1PR1 (0.45) | GCGRGIPRNME4GCDHSIRT5 | |
| Trifluoroacetic Acid SCHEMBL8866938 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KDM4EGCGRGIPRALDH1A3 | |
| Trifluoroacetic Acid SCHEMBL8867240 | 0.79 | CHRM4 (0.45) | GCGRGIPRNME4GCDHSIRT5 | |
| SCHEMBL9252196 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL2650961 | 0.79 | KDM4E (0.57) | ALDH1A1KDM4ESIRT5CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8866961 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPC1RAB9APOLB |
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-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |