Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | FABP6 | P51161 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016868 | 0.91 | ENPP2 (0.42) | TP53TDP1ENPP2PIK3CDPIK3CB | |
| SCHEMBL7010932 | 0.91 | CYP19A1 (0.42) | TP53TDP1ENPP2PIK3CDPIK3CB | |
| SCHEMBL7016720 | 0.91 | SRD5A2 (0.42) | TP53TDP1ENPP2HDAC3HDAC1 | |
| SCHEMBL7016621 | 0.89 | TP53 (0.42) | TP53TDP1ENPP2PIK3CDPIK3CB | |
| SCHEMBL7011674 | 0.89 | RAB9A (0.39) | TP53TDP1HDAC3HDAC1HDAC2 | |
| SCHEMBL7015959 | 0.87 | TP53 (0.44) | TP53TDP1ENPP2PIK3CDPIK3CB | |
| SCHEMBL7016860 | 0.87 | KDM4E (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7014282 | 0.83 | TP53 (0.41) | TP53TDP1ENPP2PIK3CDPIK3CB | |
| Hydrochloric Acid SCHEMBL7018460 | 0.82 | CYP19A1 (0.41) | MAPTNPC1RAB9ARXRAKMT2A | |
| SCHEMBL7015591 | 0.81 | MEN1 (0.50) | TP53MAPTRAB9APOLBTHRB |
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 3 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 |