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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26802 | 0.86 | ALDH1A1 (0.48) | MEN1KMT2ANPC1RAB9ACA2 | |
| Malonic Acid SCHEMBL16431221 | 0.83 | NPC1 (0.47) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL8763535 | 0.79 | ALDH1A1 (0.71) | MEN1KMT2ANPC1RAB9ACA2 | |
| SCHEMBL7087904 | 0.79 | TSHR (0.41) | MEN1KMT2ANPC1RAB9ACA2 | |
| SCHEMBL968495 | 0.79 | LMNA (0.48) | NPC1RAB9AALDH1A1TSHRCA12 | |
| SCHEMBL21574232 | 0.76 | NPC1 (0.45) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL5540778 | 0.76 | L3MBTL1 (0.45) | MEN1KMT2ARAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9827242 | 0.76 | HTT (0.42) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL425354 | 0.76 | ALDH1A1 (0.46) | MEN1KMT2ANPC1RAB9ACA2 | |
| SCHEMBL5548405 | 0.76 | G6PC1 (0.49) | MEN1KMT2APOLBNR3C1MAPT |
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-112142814-B | Tauroursodeoxycholic acid derivative, and pharmaceutical composition and preparation comprising same | 江苏吉贝尔药业股份有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-112142814-A | Tauroursodeoxycholic acid derivative, and pharmaceutical composition and preparation comprising same | 江苏吉贝尔药业股份有限公司 | 2020-12-29 | — | — | CN | disclosed |