Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 7/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388479 | 0.92 | ADORA2A (0.51) | ADORA2AADORA1DHFRCYP1A2METAP2 | |
| SCHEMBL1388662 | 0.80 | ADORA2A (0.72) | ADORA2AADORA1DHFRCYP1A2KDM4E | |
| SCHEMBL29655536 | 0.80 | ADORA2A (0.72) | ADORA2AADORA1DHFRCYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL27752359 | 0.79 | ADORA2A (0.71) | ADORA2AADORA1DHFRCYP1A2 | |
| SCHEMBL29655508 | 0.79 | DHFR (0.55) | ADORA2AADORA1DHFR | |
| SCHEMBL1388289 | 0.79 | DHFR (0.55) | ADORA2AADORA1DHFR | |
| SCHEMBL4479622 | 0.78 | ADORA2A (0.41) | ADORA2AADORA1DHFRCYP1A2METAP2 | |
| SCHEMBL29430430 | 0.78 | ADORA2A (0.41) | ADORA2AADORA1DHFRCYP1A2METAP2 | |
| SCHEMBL27612523 | 0.76 | DHFR (0.64) | ADORA2AADORA1DHFRFGFR1 | |
| SCHEMBL5494163 | 0.74 | LCK (0.51) | ADORA2AADORA1 |
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 |