Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680502 | 0.83 | RAB9A (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL13680556 | 0.82 | MEN1 (0.46) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL13680475 | 0.79 | RAB9A (0.56) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL13680501 | 0.77 | GRM5 (0.52) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL13680839 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3140552 | 0.75 | MCL1 (0.44) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3422361 | 0.75 | CCR1 (0.75) | ALDH1A1RAB9AHPGDMAPTMEN1 | |
| SCHEMBL12893245 | 0.75 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL13537053 | 0.75 | SMN1; SMN2 (0.49) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL13680553 | 0.75 | GBA1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |