Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964447 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP3A4RECQLNQO2MAOB | |
| SCHEMBL8648985 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4RECQLNQO2RELA | |
| SCHEMBL8648982 | 0.87 | ALDH1A1 (0.63) | ALDH1A1CYP3A4RECQLNQO2RELA | |
| SCHEMBL1278751 | 0.85 | KDM4E (0.57) | ALDH1A1CYP3A4NQO2RELACYP1A2 | |
| SCHEMBL1278753 | 0.85 | KDM4E (0.57) | ALDH1A1CYP3A4NQO2RELACYP1A2 | |
| SCHEMBL4078838 | 0.82 | RELA (0.61) | CYP3A4NQO2RELACYP1A2CYP1A1 | |
| SCHEMBL4078834 | 0.82 | RELA (0.61) | CYP3A4NQO2RELACYP1A2CYP1A1 | |
| SCHEMBL6500171 | 0.79 | RELA (0.59) | ALDH1A1CYP3A4RECQLNQO2RELA | |
| SCHEMBL3973218 | 0.79 | RELA (0.59) | ALDH1A1CYP3A4RECQLNQO2RELA | |
| SCHEMBL11351372 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4RECQLNQO2RELA |
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-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |
| US-3995054-A | MITICIDES | ZOECON CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |