Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3729714 | 0.89 | ALDH1A1 (0.59) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL9160142 | 0.89 | ALDH1A1 (0.59) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL3729713 | 0.89 | ALDH1A1 (0.59) | ALDH1A1CES2CES1KDM4ELMNA | |
| 2-Picolinic Acid SCHEMBL28914674 | 0.78 | LMNA (0.77) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL5650795 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL27587491 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL12505347 | 0.75 | NPC1 (0.57) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL2554972 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL2554971 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CES2CES1KDM4ELMNA | |
| SCHEMBL6461175 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CES2CES1KDM4ELMNA |
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-113061435-A | Fluorescent thermosensitive composite quantum dot material, preparation method thereof and environment temperature monitoring LED | TCL集团股份有限公司 | 2021-07-02 | — | — | CN | claimed |
| CN-113061435-A | Fluorescent thermosensitive composite quantum dot material, preparation method thereof and environment temperature monitoring LED | TCL集团股份有限公司 | 2021-07-02 | — | — | CN | disclosed |