Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.63 |
| ▸ | RELA | Q04206 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21313422 | 0.86 | NPC1 (0.65) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL3226145 | 0.81 | CHEK1 (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9METAP2 | |
| SCHEMBL21944933 | 0.81 | HSD17B1 (0.59) | HSD17B1HSD17B2CYP3A4CYP2C9METAP2 | |
| SCHEMBL28489934 | 0.80 | MEN1 (0.83) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL27625438 | 0.79 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2C9METAP2 | |
| SCHEMBL26503498 | 0.79 | NPC1 (0.81) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2117282 | 0.79 | NPC1 (1.00) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL51869 | 0.79 | HSD17B1 (0.84) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL29356013 | 0.79 | HSD17B1 (0.84) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL27960514 | 0.78 | HSD17B1 (0.65) | SMN1; SMN2HSD17B1HSD17B2CYP3A4CYP2C9 |
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-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |