Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.64 |
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27573780 | 0.99 | RAB9A (0.62) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7356325 | 0.99 | RAB9A (0.62) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| SCHEMBL5607137 | 0.87 | RAB9A (0.64) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| SCHEMBL5607141 | 0.87 | RAB9A (0.64) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| SCHEMBL27505713 | 0.85 | GAA (0.56) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| SCHEMBL5164978 | 0.85 | GAA (0.56) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7350429 | 0.84 | GAA (0.55) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27553335 | 0.84 | GAA (0.55) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7358984 | 0.84 | NPC1 (0.54) | RAB9ASMN1; SMN2NPC1ALDH1A1MAPT | |
| SCHEMBL22982998 | 0.80 | RAB9A (0.73) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140792-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6166050-A | 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000035855-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-22 | — | — | WO | disclosed |