Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | HEXA | P06865 | 1/20 | 0.48 |
| ▸ | HEXB | P07686 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27631828 | 0.78 | SMN1; SMN2 (0.58) | DHFRHPGDALDH1A1HEXAHEXB | |
| SCHEMBL10778394 | 0.75 | HEXA (0.58) | ALDH1A1HEXAHEXBADORA3KMT2A | |
| SCHEMBL24994723 | 0.72 | ALDH1A1 (0.48) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL24993600 | 0.70 | NPC1 (0.53) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL27459436 | 0.70 | SMN1; SMN2 (0.56) | HPGDALDH1A1GAAMAPTNPC1 | |
| SCHEMBL14926635 | 0.70 | MAPT (0.68) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL24993543 | 0.69 | NPC1 (0.52) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL24994737 | 0.69 | NPC1 (0.52) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL24994337 | 0.69 | NPC1 (0.52) | HPGDALDH1A1GAAMAPTRECQL | |
| SCHEMBL14358933 | 0.68 | HEXA (0.65) | DHFRALDH1A1GAAMAPTHEXA |
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 |