Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | GCGR | P47871 | 4/20 | 0.43 |
| ▸ | NME4 | O00746 | 1/20 | 0.43 |
| ▸ | GCDH | Q92947 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | GIPR | P48546 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866550 | 0.89 | NR4A2 (0.47) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL8866558 | 0.85 | SUV39H2 (0.47) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL9235389 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL9252196 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL9289264 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL8866119 | 0.80 | S1PR1 (0.45) | GCGRNME4GCDHSIRT5GIPR | |
| Trifluoroacetic Acid SCHEMBL8867446 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Trifluoroacetic Acid SCHEMBL8867537 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL2650797 | 0.77 | CA1 (0.62) | NME4GCDHSIRT5CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8866962 | 0.76 | ALDH1A1 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |