Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL28044279 | 0.90 | THRA (0.46) | NPC1RAB9ASMN1; SMN2TP53THRB | |
| SCHEMBL28044305 | 0.85 | MAPT (0.45) | NPC1RAB9ASMN1; SMN2TP53THRB | |
| SCHEMBL28044304 | 0.82 | CYP2D6 (0.51) | NPC1RAB9ASMN1; SMN2TP53KDM4E | |
| SCHEMBL28125380 | 0.78 | KDM4E (0.46) | NPC1RAB9ASMN1; SMN2TP53ALPG | |
| SCHEMBL28044307 | 0.78 | TAS1R3 (0.39) | NPC1RAB9ASMN1; SMN2THRBTHRA | |
| SCHEMBL28044297 | 0.75 | TAS1R3 (0.59) | THRBTHRAKDM4EALDH1A1MAPT | |
| SCHEMBL28044374 | 0.74 | PIM1 (0.56) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL6478966 | 0.73 | SMN1; SMN2 (0.51) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL6480036 | 0.72 | FLT3 (0.47) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL6480210 | 0.70 | PSMB8 (0.51) | NPC1RAB9ASMN1; SMN2TP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |