Known targets — ChEMBL curated mechanism
823298382338688239847Rdl1Rdl2Rdl3
The experimentally established mechanism targets of Lindane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Lindane SCHEMBL1890448 | 0.83 | LMNA (0.37) | LMNANPC1CYP1A2 | |
| Lindane SCHEMBL10779241 | 0.81 | NPC1 (0.32) | NPC1RAB9A | |
| SCHEMBL29876207 | 0.78 | — | — | |
| SCHEMBL29485005 | 0.78 | — | — | |
| SCHEMBL8356506 | 0.78 | CASP1 (0.50) | LMNACASP1NPC1RAB9APOLB | |
| SCHEMBL29900242 | 0.78 | — | — | |
| SCHEMBL8465809 | 0.78 | CASP1 (0.50) | LMNACASP1NPC1RAB9APOLB | |
| SCHEMBL25853 | 0.78 | — | — | |
| SCHEMBL9579151 | 0.78 | CASP1 (0.50) | LMNACASP1NPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL3338896 | 0.74 | CASP1 (0.47) | LMNACASP1NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019154091-A1 | SUBSTITUTED DIAMINOPYRIMIDINE COMPOUND | 深圳市塔吉瑞生物医药有限公司 | 2019-08-15 | — | — | WO | disclosed |
| CN-107032321-B | A kind of hollow carbon sphere material and its preparation method and application | 山东科技大学 | 2019-03-26 | — | — | CN | disclosed |
| CN-107032321-A | The hollow carbon sphere material of a kind of nitrogen-phosphor codoping and shell with classification macropore meso-hole structure and its preparation method and application | 山东科技大学 | 2017-08-11 | — | — | CN | disclosed |