Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6978959 | 0.82 | PTGS1 (0.42) | RAB9ASMN1; SMN2NPC1LMNATP53 | |
| SCHEMBL6968580 | 0.81 | CA1 (0.41) | ALDH1A1MAPTALOX15KDM4EHPGD | |
| SCHEMBL6970255 | 0.81 | CA1 (0.38) | ALDH1A1MAPTALOX15KDM4EHPGD | |
| SCHEMBL6977100 | 0.70 | KDM4E (0.31) | ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL6976719 | 0.69 | POLB (0.59) | — | |
| SCHEMBL6978425 | 0.69 | CHRNB2 (0.42) | KMT2A | |
| SCHEMBL6971531 | 0.69 | POLB (0.37) | ALDH1A1MAPTALOX15KDM4EHPGD | |
| SCHEMBL28615045 | 0.68 | ALDH1A1 (0.53) | ALDH1A1MAPTALOX15KDM4EHPGD | |
| SCHEMBL26342111 | 0.68 | CA1 (0.55) | ALDH1A1MAPTALOX15KDM4EHPGD | |
| SCHEMBL6979452 | 0.68 | RAB9A (0.35) | ALDH1A1RAB9A |
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-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |