Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17684587 | 0.85 | KCNH2 (0.43) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17684584 | 0.85 | KCNH2 (0.43) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17684666 | 0.84 | KCNH2 (0.38) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17728260 | 0.84 | KCNH2 (0.38) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17684732 | 0.83 | KCNH2 (0.39) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17684735 | 0.83 | KCNH2 (0.39) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL17684804 | 0.78 | KCNH2 (0.45) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL16304461 | 0.78 | KCNH2 (0.45) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL16305009 | 0.77 | PTGER4 (0.41) | KCNH2CACNA1IALDH1A1TP53LMNA | |
| SCHEMBL16305065 | 0.77 | PTGER4 (0.41) | KCNH2CACNA1IALDH1A1TP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014200075-A1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | 科研製薬株式会社 (JP) | 2014-12-18 | — | — | WO | disclosed |