Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 1.00 |
| ▸ | HTT | P42858 | 4/20 | 1.00 |
| ▸ | RAB9A | P51151 | 6/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.72 |
| ▸ | MAPT | P10636 | 5/20 | 0.68 |
| ▸ | PKM | P14618 | 2/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | NAMPT | P43490 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5456563 | 0.81 | RAB9A (0.75) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5239514 | 0.80 | NPC1 (0.73) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6816396 | 0.79 | RAB9A (0.71) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11173864 | 0.79 | RAB9A (0.75) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4061488 | 0.78 | NPC1 (0.64) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| Methyl Alcohol SCHEMBL27776732 | 0.78 | ALDH1A1 (0.97) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28464045 | 0.76 | ALDH1A1 (1.00) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14096379 | 0.76 | ALDH1A1 (0.78) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2634977 | 0.75 | SMN1; SMN2 (0.87) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5457318 | 0.75 | RAB9A (1.00) | NPC1HTTRAB9ASMN1; SMN2ALDH1A1 |
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-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |