Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL7448822 | 0.84 | SSTR4 (0.44) | — | |
| SCHEMBL6057412 | 0.84 | SSTR4 (0.44) | — | |
| SCHEMBL7809845 | 0.81 | NPC1 (0.34) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL7800948 | 0.81 | KCNH2 (0.43) | CYP3A4 | |
| SCHEMBL7800840 | 0.75 | GBA1 (0.35) | — | |
| SCHEMBL7806051 | 0.73 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL4661814 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4661812 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28494730 | 0.72 | PKM (0.60) | MEN1KMT2AALDH1A1 | |
| SCHEMBL23951472 | 0.71 | MC4R (0.51) | ALDH1A1CYP3A4TSHR |
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-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |