Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873090 | 0.92 | SMN1; SMN2 (0.47) | NPC1RAB9ASMN1; SMN2HPGDKMT2A | |
| SCHEMBL28873060 | 0.88 | POLB (0.46) | NPC1RAB9ASMN1; SMN2HPGDKMT2A | |
| SCHEMBL30081089 | 0.83 | TSHR (0.42) | KMT2ACNR1CNR2ABCG2TP53 | |
| SCHEMBL28873058 | 0.83 | TSHR (0.42) | KMT2ACNR1CNR2ABCG2TP53 | |
| SCHEMBL30081078 | 0.82 | ABCG2 (0.47) | HPGDKMT2AABCG2TP53ALDH1A1 | |
| SCHEMBL28873061 | 0.82 | ABCG2 (0.47) | HPGDKMT2AABCG2TP53ALDH1A1 | |
| SCHEMBL28873083 | 0.82 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2HPGDKMT2A | |
| SCHEMBL28873069 | 0.79 | NAAA (0.52) | SMN1; SMN2HPGDAKR1B10AKR1B1ALDH1A1 | |
| SCHEMBL30022955 | 0.79 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2HPGDKMT2A | |
| SCHEMBL28654875 | 0.79 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2HPGDKMT2A |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |