Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 0.48 |
| ▸ | F10 | P00742 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567800 | 0.85 | FFAR1 (0.48) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL19266188 | 0.80 | HDAC8 (0.44) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL8570601 | 0.79 | HDAC8 (0.43) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL15687505 | 0.78 | ESR1 (0.50) | F2F10HDAC8HDAC6CA12 | |
| SCHEMBL13715430 | 0.78 | ESR1 (0.50) | F2F10HDAC8HDAC6CA12 | |
| SCHEMBL8565056 | 0.78 | HDAC8 (0.42) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL18608207 | 0.77 | CA1 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7566284 | 0.77 | F2 (0.48) | F2F10LMNACYP1A2KDM4E | |
| SCHEMBL16681778 | 0.77 | F2 (0.48) | F2F10TSHRLMNACYP1A2 | |
| SCHEMBL4405154 | 0.76 | F2 (0.56) | F2F10TSHRCYP1A2CYP3A4 |
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-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5688800-A | ANTITUMOR AGENTS | EISAI CO., LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |