Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 7/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27081518 | 1.00 | APP (0.51) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL4548433 | 0.86 | NPC1 (0.58) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL10841695 | 0.85 | P4HTM (0.54) | MAOBRAB9ASMN1; SMN2FFAR1MAPT | |
| SCHEMBL18951811 | 0.84 | TUBB4A (0.51) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL4548421 | 0.82 | NPC1 (0.50) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL26098902 | 0.80 | NPC1 (0.49) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL16838833 | 0.78 | APP (0.56) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL5183487 | 0.78 | APP (0.56) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL21244006 | 0.78 | APP (0.61) | APPMAOBNPC1RAB9ATDP1 | |
| SCHEMBL12036828 | 0.78 | TUBB4A (0.36) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 |
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-117120053-A | Novel cyclopenta [ c ] pyrrole NR2B negative allosteric modulators | 诺华股份有限公司 | 2023-11-24 | — | — | CN | disclosed |