Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21640867 | 0.88 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL21641246 | 0.88 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL21640515 | 0.88 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6975491 | 0.69 | TSHR (0.46) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL21641248 | 0.68 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2008316 | 0.68 | LMNA (0.42) | SMN1; SMN2KMT2AMEN1HPGDLMNA | |
| SCHEMBL2008314 | 0.68 | LMNA (0.42) | SMN1; SMN2KMT2AMEN1HPGDLMNA | |
| SCHEMBL26512459 | 0.67 | — | — | |
| SCHEMBL25134815 | 0.66 | — | — | |
| SCHEMBL1145497 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604305-A1 | NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF | Wakunaga Pharmaceutical Co., Ltd. (JP) | 2020-02-05 | — | — | EP | disclosed |