Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.61 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541276 | 0.89 | CES2 (0.61) | ALDH1A1LMNASRD5A2CES2CES1 | |
| SCHEMBL187134 | 0.89 | CES2 (0.61) | ALDH1A1LMNASRD5A2CES2CES1 | |
| SCHEMBL13679682 | 0.88 | CES2 (0.68) | ALDH1A1LMNASRD5A2GSK3BCES2 | |
| SCHEMBL10727688 | 0.83 | SRD5A2 (0.85) | ALDH1A1LMNASRD5A2GSK3BCES2 | |
| SCHEMBL11893040 | 0.83 | SRD5A2 (0.85) | ALDH1A1LMNASRD5A2GSK3BCES2 | |
| SCHEMBL5734655 | 0.82 | IDO1 (0.52) | ALDH1A1GSK3BCES2CES1TDP1 | |
| SCHEMBL52200 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNASRD5A2CES2CES1 | |
| SCHEMBL822185 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNASRD5A2CES2CES1 | |
| SCHEMBL121442 | 0.82 | — | — | |
| SCHEMBL118227 | 0.81 | CES2 (0.77) | ALDH1A1LMNASRD5A2GSK3BCES2 |
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-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |
| US-5112851-A | Agricultural Fungicides | SANDOZ LTD. (CH) | 1992-05-12 | — | — | US | disclosed |
| US-4939148-A | Amine derivatives, processes for their production and their use | SANDOZ, LTD. (CH) | 1990-07-03 | — | — | US | disclosed |