Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL14898395 | 1.00 | ACACB (0.50) | ACACBESR1EPHX1ESR2CHRM1 | |
| SCHEMBL7999700 | 0.84 | CA2 (0.43) | ESR1EPHX1ESR2TSHRRAB9A | |
| SCHEMBL15315079 | 0.84 | CA2 (0.43) | ESR1EPHX1ESR2TSHRRAB9A | |
| SCHEMBL13323474 | 0.84 | ACACB (0.48) | ACACBCYP2C9MEN1KMT2APPARG | |
| SCHEMBL12188588 | 0.84 | ACACB (0.48) | ACACBCYP2C9MEN1KMT2APPARG | |
| SCHEMBL14950914 | 0.84 | ACACB (0.48) | ACACBCYP2C9MEN1KMT2APPARG | |
| SCHEMBL8272777 | 0.82 | RXRA (0.54) | ACACBPTGS2ADRB3PPARGALDH1A1 | |
| SCHEMBL12568338 | 0.82 | NPC1 (0.42) | ACACBNFKB1RAB9AMEN1KMT2A | |
| SCHEMBL9886030 | 0.82 | ACACB (0.46) | ACACBESR1ESR2MEN1KMT2A | |
| SCHEMBL12668874 | 0.82 | ACACB (0.46) | ACACBESR1ESR2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20170349638-A1 | COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. | 2017-12-07 | — | — | US | disclosed |
| US-20170349638-A1 | COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. | 2017-12-07 | — | — | 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 (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-20170349638-A1 | COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES | TP53, TP53BP1, VHL | ACACB 3730/4885ESR1 442/4885EPHX1 4721/4885 |
“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.