Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MLYCD | O95822 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL5045338 | 0.85 | ALDH1A1 (0.47) | ACHEMLYCDKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL12638466 | 0.84 | CYP3A4 (0.52) | POLBAPEX1TDP1ACHEKDM4E | |
| SCHEMBL6698097 | 0.83 | TP53 (0.44) | MLYCDALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL8374351 | 0.82 | POLB (0.50) | POLBAPEX1TDP1MLYCDLTB4R2 | |
| Hydrochloric Acid SCHEMBL27840267 | 0.82 | POLB (0.46) | POLBAPEX1TDP1MLYCDLTB4R2 | |
| SCHEMBL8016233 | 0.81 | MLYCD (0.40) | ACHEMLYCDALDH1A1MEN1KMT2A | |
| SCHEMBL2069635 | 0.81 | TP53 (0.59) | ACHEALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL8425367 | 0.79 | PARP10 (0.43) | MLYCDALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL5510305 | 0.78 | TP53 (0.40) | ACHEMLYCDALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14248561 | 0.78 | ACHE (0.44) | ACHEMLYCDKDM4EALDH1A1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |