Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5133609 | 0.86 | GAA (0.53) | RAB9ANPC1MAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL6950878 | 0.81 | RAB9A (0.53) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL8641842 | 0.81 | LTA4H (0.51) | RAB9ANPC1MAPTLMNA | |
| SCHEMBL9598378 | 0.78 | KDM4C (0.35) | SMN1; SMN2HTT | |
| SCHEMBL4955468 | 0.78 | KDM4C (0.32) | — | |
| SCHEMBL13607972 | 0.77 | RAB9A (0.51) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13607778 | 0.77 | RAB9A (0.51) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL8332576 | 0.76 | RAB9A (0.54) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL7073069 | 0.75 | RAD52 (0.46) | ALDH1A1MAPTCYP1A2MEN1KMT2A | |
| SCHEMBL7851162 | 0.75 | PARP1 (0.43) | ALDH1A1GSK3B |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |