Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.60 |
| ▸ | NPC1 | O15118 | 8/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 2/20 | 0.53 |
| ▸ | KIT | P10721 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3754370 | 0.94 | MAPK14 (0.57) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL13575614 | 0.87 | SMYD3 (0.53) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL13575495 | 0.87 | KDM1A (0.53) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL9396679 | 0.87 | NPC1 (0.63) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL3545889 | 0.86 | NPC1 (0.48) | RAB9ANPC1HPGDCYP3A4CYP2C9 | |
| SCHEMBL2949628 | 0.86 | NPC1 (0.57) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL2955494 | 0.84 | NPC1 (0.59) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL1911834 | 0.84 | NPC1 (0.69) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL12217594 | 0.83 | RAB9A (0.62) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL28647977 | 0.83 | NPC1 (0.68) | RAB9ANPC1SMN1; SMN2HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105801582-A | Novel dihydro pteridinone derivative, preparing method thereof and application to medicine | 合肥工业大学 | 2016-07-27 | — | — | CN | disclosed |