Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.66 |
| ▸ | RAB9A | P51151 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27410406 | 0.80 | NPC1 (0.59) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL15079020 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL3639135 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL7390245 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL4469337 | 0.79 | NPC1 (0.71) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL1604406 | 0.78 | CYP1B1 (0.63) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL23295214 | 0.76 | NPC1 (0.77) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL23296056 | 0.76 | RAB9A (0.77) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL21616515 | 0.76 | NPC1 (0.77) | NPC1RAB9AALDH1A1MAPTCYP3A4 | |
| SCHEMBL23295248 | 0.76 | NPC1 (0.77) | NPC1RAB9AALDH1A1MAPTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1098260-C | 2,4-diaminopyrimidine derivatives | BASLIR PHARMACEUTICALS AG (CH) | 2003-01-08 | — | — | CN | disclosed |
| CN-1218465-A | 2,4-diaminopyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-06-02 | — | — | CN | disclosed |