Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL8379644 | 0.85 | CYP1A2 (0.52) | SMN1; SMN2TP53POLBRAB9ANPC1 | |
| SCHEMBL6475390 | 0.84 | RAB9A (0.50) | SMN1; SMN2RAB9ANPC1ALDH1A1HPGD | |
| Water SCHEMBL6475896 | 0.83 | NPC1 (0.61) | SMN1; SMN2TP53RAB9ANPC1ALDH1A1 | |
| Water SCHEMBL6475900 | 0.83 | NPC1 (0.61) | SMN1; SMN2TP53RAB9ANPC1ALDH1A1 | |
| SCHEMBL8384659 | 0.82 | CYP1A2 (0.56) | SMN1; SMN2TP53RAB9ANPC1ALDH1A1 | |
| SCHEMBL15693632 | 0.79 | SMN1; SMN2 (0.71) | SMN1; SMN2TP53RAB9ANPC1ALDH1A1 | |
| SCHEMBL10752812 | 0.77 | RAB9A (0.45) | SMN1; SMN2TP53POLBRAB9ANPC1 | |
| SCHEMBL6475758 | 0.77 | CYP1A2 (0.47) | SMN1; SMN2RAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL9677221 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL15693633 | 0.76 | RAB9A (0.68) | SMN1; SMN2TP53POLBRAB9ANPC1 |
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-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |