Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CDC25B | P30305 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537147 | 0.93 | KDM4E (0.54) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL9540661 | 0.91 | KDM4E (0.51) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL9778968 | 0.87 | GAA (0.46) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL5311626 | 0.82 | MAOA (0.53) | KDM4EALDH1A1KMT2AMAPK1MAPT | |
| SCHEMBL4675984 | 0.82 | MAOA (0.68) | KDM4EALDH1A1GAAKMT2AMAPK1 | |
| SCHEMBL11144122 | 0.82 | MAOB (0.72) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL16271258 | 0.82 | KDM4E (0.70) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL7469464 | 0.81 | MAOB (0.52) | KDM4EALDH1A1KMT2AMAPK1MAPT | |
| SCHEMBL28805121 | 0.81 | ALDH1A1 (0.59) | KDM4EALDH1A1GAAGLAKMT2A | |
| SCHEMBL931020 | 0.80 | MAOB (0.51) | KDM4EALDH1A1KMT2AMAPK1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183439-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-02-03 | — | — | EP | disclosed |
| US-5075455-A | Microbiocides, antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-4970227-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1990-11-13 | — | — | US | disclosed |
| US-4965285-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0183439-A2 | Polycyclic compounds, their preparation and use and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-06-04 | — | — | EP | disclosed |