Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL28847563 | 0.83 | NPC1 (0.44) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28299787 | 0.81 | NPC1 (0.47) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28847513 | 0.80 | NPC1 (0.39) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL7383807 | 0.77 | NPC1 (0.53) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28299534 | 0.73 | NPC1 (0.52) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28299665 | 0.72 | NPC1 (0.55) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL27625848 | 0.71 | MAPT (0.45) | RAB9AMAPTALDH1A1HPGDKMT2A | |
| SCHEMBL28299743 | 0.70 | RAB9A (0.53) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28299679 | 0.70 | NPC1 (0.49) | NPC1RAB9AMAPTALDH1A1ALOX5 | |
| SCHEMBL28299561 | 0.70 | NPC1 (0.49) | NPC1RAB9AMAPTALDH1A1ALOX5 |
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-109890822-B | Inhibitors of cellular metabolic processes | 安吉奥斯医药品有限公司 | 2022-08-30 | — | — | CN | disclosed |