Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.51 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9391354 | 0.93 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL30492996 | 0.90 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL1851780 | 0.90 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL9391362 | 0.83 | TDP1 (0.67) | ALDH1A1RAB9ALMNAPOLBCYP1A2 | |
| SCHEMBL27497975 | 0.82 | SMN1; SMN2 (0.86) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL27295012 | 0.81 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL5735290 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAHTTCYP1A2 | |
| SCHEMBL179011 | 0.81 | TOP1 (0.58) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL179026 | 0.81 | TOP1 (0.58) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL10334194 | 0.81 | SMN1; SMN2 (0.60) | ALDH1A1SMN1; SMN2PKMNPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| WO-2008097976-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008097976-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| WO-1994001394-A1 | PREPARATION OF N-ARYL AMIDES | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1994-01-20 | — | — | WO | 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 (1 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | GPR119, GPBAR1, LDLR | ALDH1A1 2459/4885SMN1; SMN2 3821/4885PKM 1709/4885 |
“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.