Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.67 |
| ▸ | RAB9A | P51151 | 5/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.67 |
| ▸ | RELA | Q04206 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2705561 | 0.85 | NFKB1 (0.61) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL14584377 | 0.84 | HSD17B10 (0.75) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL209971 | 0.84 | NFKB1 (0.59) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL5550842 | 0.83 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL11174292 | 0.83 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL11455366 | 0.79 | TP53 (0.54) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| Lithium Ion SCHEMBL209972 | 0.78 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL208477 | 0.78 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL11461143 | 0.77 | MAPT (0.59) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 | |
| SCHEMBL11462094 | 0.77 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2MAPTNFKB1 |
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-102066339-B | 2, 6-diamino-pyrimidin-5-yl-carboxamides as SYK or JAK protein kinase inhibitors | PORTOLA PHARM INC | 2014-09-24 | — | — | CN | disclosed |
| EP-2268281-A1 | THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS | Abbott Laboratories (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009102462-A1 | THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS | ABBOTT LABORATORIES (US) | 2009-08-20 | — | — | WO | disclosed |