Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.46 |
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16973978 | 0.78 | CA12 (0.68) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL14401871 | 0.77 | CA12 (0.45) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL6319603 | 0.76 | ALDH1A1 (0.52) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL6319098 | 0.73 | NR4A3 (0.60) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL18321230 | 0.70 | MAPT (0.70) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL26659214 | 0.69 | ALKBH1 (0.43) | MAPTLMNAHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL18320420 | 0.68 | MAPT (0.56) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL2571568 | 0.67 | NPC1 (0.50) | NPC1RAB9AMAPTHPGDALDH1A1 | |
| SCHEMBL18762330 | 0.67 | RAB9A (0.68) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL18320914 | 0.67 | MAPT (0.60) | NPC1RAB9AMAPTLMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1289326-A | N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia | PFIZER PROD INC (US) | 2001-03-28 | — | — | CN | disclosed |