Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360081 | 0.83 | RAB9A (0.46) | ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL7359999 | 0.79 | P2RX7 (0.52) | ALDH1A1RAB9ASMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL7363209 | 0.78 | NAMPT (0.48) | KDM4EALOX12CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7363204 | 0.77 | P2RX7 (0.42) | ALDH1A1RAB9AMAPK1LMNAHPGD | |
| SCHEMBL8622514 | 0.77 | P2RX7 (0.42) | ALDH1A1RAB9AMAPK1LMNAHPGD | |
| SCHEMBL8622507 | 0.77 | P2RX7 (0.42) | ALDH1A1RAB9AMAPK1LMNAHPGD | |
| SCHEMBL7361542 | 0.74 | HTT (0.34) | P2RX7HTT | |
| SCHEMBL7361539 | 0.74 | HTT (0.34) | P2RX7HTT | |
| SCHEMBL9149002 | 0.74 | BCL6 (0.62) | RAB9ASMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8625066 | 0.73 | HTT (0.39) | ALDH1A1RAB9ASMN1; SMN2KDM4EALOX12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741708-A1 | CYANOGUANIDINES AS K-CHANNEL BLOCKERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-13 | — | — | EP | claimed |
| WO-1995020579-A1 | CYANOGUANIDINES AS K-CHANNEL BLOCKERS | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-03 | — | — | WO | claimed |