Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23102656 | 0.80 | TRPC5 (0.33) | PDCD1CD274TRPC5 | |
| SCHEMBL23102583 | 0.76 | USP2 (0.35) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL23102399 | 0.71 | PARP1 (0.37) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL23102431 | 0.69 | KDM4E (0.35) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL23102694 | 0.69 | USP2 (0.33) | KDM4EMAPTALDH1A1GAAHPGD | |
| SCHEMBL23102477 | 0.68 | PDCD1 (0.34) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL23102693 | 0.67 | USP2 (0.33) | KDM4EMAPTALDH1A1GAAHPGD | |
| SCHEMBL23102594 | 0.66 | TP53 (0.33) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL23624312 | 0.66 | KDM4E (0.35) | PDCD1CD274KDM4EMAPTALDH1A1 | |
| SCHEMBL21595152 | 0.64 | HDAC3 (0.39) | KDM4EALDH1A1LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047556-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |