Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | LDLR | P01130 | 1/20 | 0.46 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ATP1A1 | P05023 | 5/20 | 0.45 |
| ▸ | ATP1B1 | P05026 | 5/20 | 0.45 |
| ▸ | ATP1A3 | P13637 | 5/20 | 0.45 |
| ▸ | ATP1B2 | P14415 | 5/20 | 0.45 |
| ▸ | ATP1A2 | P50993 | 5/20 | 0.45 |
| ▸ | ATP1B3 | P54709 | 5/20 | 0.45 |
| ▸ | FXYD2 | P54710 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6272340 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL11219444 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL28963850 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL25253430 | 0.82 | MAPT (0.59) | LMNAKMT2AGAAMEN1MAPT | |
| SCHEMBL18355797 | 0.82 | LMNA (0.50) | CYP1A2CYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL18356073 | 0.80 | NPSR1 (0.48) | CYP1A2CYP3A4CYP2D6LMNAKMT2A | |
| SCHEMBL18204426 | 0.79 | KMT2A (0.44) | KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL24706511 | 0.79 | KMT2A (0.47) | KMT2ANPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28710514 | 0.73 | HPGDS (0.55) | CYP1A2CYP3A4LMNAKMT2AGAA | |
| SCHEMBL12721184 | 0.73 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1228327-C | Carboxylic acid derivatives and drugs containing the same | EISAI CO LTD (JP) | 2005-11-23 | — | — | CN | disclosed |
| US-6884821-B1 | Carboxylic acid derivatives and drugs containing the same | EISAI CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| CN-1377336-A | Carboxylic acid derivatives and drugs containing the same | EISAI CO LTD (JP) | 2002-10-30 | — | — | CN | disclosed |
| EP-1216980-A1 | CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |