Cholate

Cholate

SCHEMBL18485247

C[C@H](CCC(=O)O)C1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@]12C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 0.64
▸ NR1H4 Q96RI1 5/20 0.64
▸ PDE3A Q14432 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ SLC10A2 Q12908 3/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ LMNA P02545 2/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ ENPP2 Q13822 1/20 0.58
▸ SLC10A1 Q14973 1/20 0.58
▸ CISD1 Q9NZ45 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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.

Compoundsimilaritytop predictedshared targets
Cholate SCHEMBL19273280 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL18472024 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL12568048 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL19268301 1.00 GPBAR1 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL26238244 0.90 USP2 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL26237886 0.90 USP2 (0.64) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
Cholate SCHEMBL29568257 0.90 ALDH1A1 (0.66) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL12568064 0.90 GPBAR1 (0.52) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL22388960 0.89 GPBAR1 (0.52) GPBAR1NR1H4PDE3ACYP3A4SLC10A2
SCHEMBL15633643 0.83 EPHA2 (0.51) GPBAR1SLC10A2KMT2AABCB11

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301303-B2 Berberine salts, ursodeoxycholic salts and combinations, methods of preparation and application thereof SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2019-05-28 — — US disclosed
US-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2017-02-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 GPBAR1 12/4885NR1H4 2/4885PDE3A 3058/4885
US-10301303-B2 Berberine salts, ursodeoxycholic salts and combinations, methods of preparation and application thereof CYP27A1, NR1H4, CYP7A1 GPBAR1 12/4885NR1H4 2/4885PDE3A 3058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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