Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30713240 | 0.88 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL29267300 | 0.88 | ALDH1A1 (0.45) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL30967347 | 0.86 | ALDH1A1 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1POLB | |
| SCHEMBL30967342 | 0.84 | MAPT (0.36) | SMN1; SMN2NPC1RAB9AALDH1A1POLB | |
| SCHEMBL31024611 | 0.82 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL31024612 | 0.82 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL30967371 | 0.76 | IDO1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1PIK3CD | |
| SCHEMBL31258713 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL31258785 | 0.73 | ALDH1A1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL30713218 | 0.73 | NPC1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR |
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-118459452-B | PolyADP ribose hydrolase inhibitor and application thereof | 苏州国匡医药科技有限公司 | 2024-10-25 | — | — | CN | disclosed |
| WO-2024173514-A1 | AMIDE AND ESTER-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS | IDEAYA BIOSCIENCES, INC. (US) | 2024-08-22 | — | — | WO | disclosed |
| CN-118459452-A | PolyADP ribose hydrolase inhibitor and application thereof | 苏州国匡医药科技有限公司 | 2024-08-09 | — | — | CN | disclosed |