Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | DHFR | P00374 | 6/20 | 0.56 |
| ▸ | HEXA | P06865 | 4/20 | 0.51 |
| ▸ | HEXB | P07686 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27631954 | 0.78 | DHFR (0.49) | SMN1; SMN2KDM4EHPGDDHFRHEXA | |
| SCHEMBL27612691 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4EHPGDDHFRHEXA | |
| SCHEMBL4410099 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4EHPGDDHFRHEXA | |
| SCHEMBL3450978 | 0.73 | TSHR (0.51) | SMN1; SMN2KDM4EHPGDDHFRHEXA | |
| SCHEMBL5471370 | 0.73 | NPC1 (0.54) | SMN1; SMN2DHFRHEXAHEXBLMNA | |
| SCHEMBL3451463 | 0.73 | HSP90AA1 (0.57) | SMN1; SMN2KDM4EHPGDLMNAALDH1A1 | |
| SCHEMBL27631456 | 0.72 | DHFR (0.60) | SMN1; SMN2DHFRLMNAKMT2ATDP1 | |
| SCHEMBL12487635 | 0.72 | DHFR (1.00) | SMN1; SMN2DHFRHEXAHEXBLMNA | |
| SCHEMBL13494944 | 0.71 | PIK3CD (0.50) | SMN1; SMN2KDM4EDHFRHEXAHEXB | |
| SCHEMBL28957216 | 0.70 | LMNA (0.44) | SMN1; SMN2KDM4EHPGDDHFRHEXA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102174024-A | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2011-09-07 | — | — | CN | disclosed |
| CN-1625400-B | 2, 4-pyrimidinediamine compounds and uses thereof | RIGEL PHARMACEUTICALS INC | 2011-04-13 | — | — | CN | disclosed |
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |