Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | FABP1 | P07148 | 1/20 | 0.50 |
| ▸ | FABP6 | P51161 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13657976 | 0.88 | SMN1; SMN2 (0.57) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL13662122 | 0.78 | FABP1 (0.56) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL18745854 | 0.78 | HCAR3 (0.51) | ALDH1A1HPGDLMNASMN1; SMN2POLB | |
| SCHEMBL19573445 | 0.77 | FABP1 (0.51) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL22191739 | 0.76 | FABP1 (0.58) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL11563461 | 0.76 | NOS2 (0.58) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL10331338 | 0.74 | RAB9A (0.59) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL13757427 | 0.74 | LMNA (0.54) | ALDH1A1HPGDKDM4ELMNASMN1; SMN2 | |
| SCHEMBL27652089 | 0.73 | FABP1 (0.54) | ALDH1A1HPGDKDM4ELMNATP53 | |
| SCHEMBL856048 | 0.72 | VNN1 (0.50) | ALDH1A1HPGDKDM4ELMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-9624229-B2 | Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases | RIGEL PHARMACEUTICALS, INC. (US) | 2017-04-18 | — | — | US | disclosed |