Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA4 | P22748 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL728940 | 0.81 | CA1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL12870052 | 0.79 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL420230 | 0.79 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL10538285 | 0.78 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2691054 | 0.77 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| Propane SCHEMBL28642961 | 0.77 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL31619429 | 0.77 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11010393 | 0.77 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8021615 | 0.76 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8020977 | 0.76 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283573-A | Method for synthesizing 6-hydroxy-8-chlorooctanoic acid ethyl ester | 风火轮(上海)生物科技有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-117466734-A | Method for preparing lipoic acid intermediate by continuous flow | 风火轮(上海)生物科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117466734-A | Method for preparing lipoic acid intermediate by continuous flow | 风火轮(上海)生物科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-116283573-A | Method for synthesizing 6-hydroxy-8-chlorooctanoic acid ethyl ester | 风火轮(上海)生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-110963916-B | Preparation method of 2- (acetoxyethyl) cyclohexanone | 上海现代制药股份有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-110963916-A | Preparation method of 2- (acetoxyethyl) cyclohexanone | 上海现代制药股份有限公司 | 2020-04-07 | — | — | CN | disclosed |
| CN-106365973-A | Thioctic acid intermediate synthesis method | 江苏同禾药业有限公司 | 2017-02-01 | — | — | CN | disclosed |
| EP-0586987-B1 | Improved method for the preparation of R/S-gamma-lipoic acid or R/S-alpha-lipoic acid | BASF AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| US-5489694-A | Preparation of R/S-γ-lipoic acid or R/S-α-lipoic acid | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-06 | — | — | US | disclosed |
| US-5380920-A | Preparation of R/S-γ-lipoic acid or R/S-α-lipoic acid | BASF AKTIENGESELLSCHAFT (DE) | 1995-01-10 | — | — | US | disclosed |
| EP-0586987-A1 | Improved method for the preparation of R/S-gamma-lipoic acid or R/S-alpha-lipoic acid | BASF Aktiengesellschaft (DE) | 1994-03-16 | — | — | EP | disclosed |
| US-4555537-A | IMIDAZOLINE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1985-11-26 | — | — | US | disclosed |