Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.75 |
| ▸ | CA1 | P00915 | 1/20 | 0.75 |
| ▸ | CA2 | P00918 | 1/20 | 0.75 |
| ▸ | CA4 | P22748 | 1/20 | 0.75 |
| ▸ | CA6 | P23280 | 1/20 | 0.75 |
| ▸ | CA7 | P43166 | 1/20 | 0.75 |
| ▸ | TPMT | P51580 | 1/20 | 0.75 |
| ▸ | CA9 | Q16790 | 1/20 | 0.75 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | TTR | P02766 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Veratric Acid SCHEMBL976032 | 0.86 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL114848 | 0.86 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL29386353 | 0.86 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Vanillic Acid SCHEMBL31557599 | 0.85 | HTT (0.77) | CA12CA1CA2CA4CA6 | |
| Vanillic Acid SCHEMBL31557598 | 0.85 | HTT (0.77) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL28597713 | 0.84 | CA12 (0.96) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL3779944 | 0.84 | CA12 (0.96) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL5804511 | 0.84 | CA12 (0.96) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL9513127 | 0.84 | CA12 (0.96) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL28276206 | 0.84 | CA12 (0.96) | CA12CA1CA2CA4CA6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084464-B2 | Tetrahydroisoquinoline derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-8084464-B2 | Tetrahydroisoquinoline derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2231155-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| US-20090192188-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2009-07-30 | — | — | US | disclosed |
| US-20090192188-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2009-07-30 | — | — | US | disclosed |
| WO-2009079637-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2009-06-25 | — | — | WO | disclosed |
| US-20080039473-A1 | PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090192188-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | HCRTR2, HCRTR1, OXTR | CA12 2710/4885CA1 1117/4885CA2 674/4885 |
| US-20080039473-A1 | PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS | ADRB1, ADRB2, ADRB3 | CA12 4588/4885CA1 4714/4885CA2 2507/4885 |
“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.