Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27729747 | 0.84 | KIF11 (0.50) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL24155913 | 0.79 | RAB9A (0.58) | RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1 | |
| SCHEMBL26635446 | 0.78 | NPC1 (0.44) | RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1 | |
| SCHEMBL31375503 | 0.78 | NPSR1 (0.42) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL18101370 | 0.77 | RAB9A (0.54) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| Biphenyl SCHEMBL27928291 | 0.77 | GAA (0.42) | RAB9ANPC1KIF11ALDH1A1MAPT | |
| SCHEMBL16906666 | 0.77 | AR (0.46) | RAB9ASMN1; SMN2NPC1ATMALDH1A1 | |
| SCHEMBL17619727 | 0.75 | CYP2A6 (0.48) | RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1 | |
| SCHEMBL16404616 | 0.74 | TRPV4 (0.52) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL16903671 | 0.74 | KIF11 (0.53) | KIF11ATMALDH1A1DHFRSCN2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973884-A2 | NOVEL HETEROCYCLES | Orchid Research Laboratories Limited (IN) | 2008-10-01 | — | — | EP | claimed |
| WO-2007083182-A2 | NOVEL HETEROCYCLES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-07-26 | — | — | WO | claimed |
| CN-116621778-A | USP inhibitor, preparation method and application thereof | 北京华森英诺生物科技有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-109476640-B | Bicyclic proline compounds | 豪夫迈·罗氏有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-101360717-A | Novel heterocycles | ORCHID RES LAB LTD (IN) | 2009-02-04 | — | — | CN | disclosed |