Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.54 |
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8738903 | 0.81 | EZH2 (0.53) | NPC1KMT2ACYP19A1TBXAS1POLB | |
| SCHEMBL26401026 | 0.79 | KMT2A (0.71) | NPC1RAB9AKMT2ASMN1; SMN2NAMPT | |
| SCHEMBL8810497 | 0.78 | HRH3 (0.54) | KDM4ECYP19A1TBXAS1POLBCYP1A2 | |
| SCHEMBL7879609 | 0.77 | GAA (0.53) | NPC1KMT2ASMN1; SMN2KDM4ECYP19A1 | |
| SCHEMBL7875125 | 0.76 | KMT2A (0.43) | NPC1RAB9AKMT2ASMN1; SMN2NAMPT | |
| SCHEMBL506708 | 0.76 | NPC1 (0.64) | NPC1RAB9AKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL126657 | 0.75 | NPC1 (0.82) | NPC1RAB9AKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL520877 | 0.75 | NPC1 (0.82) | NPC1RAB9AKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL28928584 | 0.75 | NPC1 (0.82) | NPC1RAB9AKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL4492287 | 0.74 | CYP19A1 (0.75) | KMT2ACYP19A1TBXAS1POLBCYP1A2 |
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-1028942-A2 | DIPEPTIDE NITRILES | Novartis AG (CH) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024460-A2 | DIPEPTIDE NITRILES | NOVARTIS AG (CH) | 1999-05-20 | — | — | WO | disclosed |