Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8749450 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283972 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283971 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283829 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283828 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL8749658 | 0.77 | ATM (0.42) | ALDH1A1KDM4EATMEPHX1CA1 | |
| SCHEMBL20018657 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL9019510 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL49036 | 0.76 | — | — | |
| SCHEMBL6371772 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EATMEPHX1BTK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0644872-B1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS | CIBA GEIGY AG (CH) | 1997-03-19 | — | — | EP | disclosed |
| US-5516806-A | ANTITUMOR | CIBA-GEIGY CORPORATION (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0644872-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| WO-1994024093-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS | CIBA-GEIGY AG (CH) | 1994-10-27 | — | — | WO | disclosed |