Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29756638 | 0.77 | GRM5 (0.43) | GRM5NPC1RAB9AGAAMCHR1 | |
| SCHEMBL285550 | 0.77 | GRM5 (0.43) | GRM5NPC1RAB9AGAAMCHR1 | |
| SCHEMBL27138292 | 0.73 | TSHR (0.35) | TSHRNPC1RAB9AMAOBIDO1 | |
| SCHEMBL20129257 | 0.73 | TSHR (0.35) | TSHRNPC1RAB9AMAOBIDO1 | |
| SCHEMBL22769234 | 0.72 | IDO1 (0.38) | NPC1RAB9AMAOBMEN1GAA | |
| SCHEMBL1310325 | 0.72 | KMT2A (0.58) | NPC1RAB9AMAOBMEN1GAA | |
| SCHEMBL30659808 | 0.72 | MAOB (0.50) | TSHRNPC1RAB9AMAOBMEN1 | |
| SCHEMBL3415984 | 0.72 | MAOB (0.50) | TSHRNPC1RAB9AMAOBMEN1 | |
| SCHEMBL20120611 | 0.71 | IDO1 (0.47) | MAOBL3MBTL1IDO1AGXTAPP | |
| SCHEMBL20213990 | 0.71 | IDO1 (0.50) | MAOBL3MBTL1IDO1AGXTAPP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021104488-A1 | TRI-HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2021-06-03 | — | — | WO | disclosed |
| WO-2020244614-A1 | PYRROLOPYRIMIDINE COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2020-12-10 | — | — | WO | disclosed |