Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.60 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30721031 | 0.89 | NPC1 (0.71) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL20450286 | 0.85 | NPC1 (0.69) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL26679501 | 0.82 | CYP19A1 (0.72) | CYP19A1ABCG2CYP3A4HPGDALDH1A1 | |
| Dihydrooroxylin A SCHEMBL12067042 | 0.81 | NPC1 (1.00) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| Dihydrooroxylin A SCHEMBL31682921 | 0.81 | NPC1 (1.00) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL905614 | 0.81 | NPC1 (0.73) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL27775449 | 0.79 | NPC1 (0.82) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL30716844 | 0.78 | NPC1 (0.77) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL782044 | 0.78 | TAS2R31 (0.74) | NPC1RAB9ACYP19A1TAS2R31ABCG2 | |
| SCHEMBL4225984 | 0.78 | TAS2R31 (0.74) | NPC1RAB9ACYP19A1TAS2R31ABCG2 |
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-1765313-A2 | COMPOUNDS FOR IMMUNOPOTENTIATION | Novartis Vaccines and Diagnostics, Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002422-A2 | COMPOUNDS FOR IMMUNOPOTENTIATION | NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) | 2006-01-05 | — | — | WO | disclosed |