Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL989847 | 0.99 | PDK2 (0.43) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL989848 | 0.98 | PDK2 (0.42) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL8029267 | 0.92 | PDK2 (0.45) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL991050 | 0.90 | PDK2 (0.44) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL989898 | 0.89 | PDK2 (0.39) | PDK2CYP3A4SLC6A9BDKRB1ALDH1A1 | |
| SCHEMBL989752 | 0.87 | CYP3A4 (0.37) | CYP3A4SLC6A9BDKRB1ALDH1A1MAOA | |
| SCHEMBL989604 | 0.87 | CYP3A4 (0.40) | CYP3A4SLC6A9BDKRB1ALDH1A1MAOA | |
| SCHEMBL991099 | 0.86 | DRD2 (0.41) | PDK2DRD2IDO1ALDH1A1LMNA | |
| SCHEMBL8027887 | 0.86 | PDK2 (0.46) | PDK2CA12CA1CA2CA9 | |
| SCHEMBL988386 | 0.86 | RAB9A (0.37) | CYP3A4SLC6A9BDKRB1ALDH1A1MAOA |
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-8957089-B2 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-02-17 | — | — | US | disclosed |
| US-8653100-B2 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20130203749-A1 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. (US) | 2013-08-08 | — | — | US | disclosed |
| EP-2271625-B1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO KG (DE) | 2012-09-12 | — | — | EP | disclosed |
| US-20110105502-A1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott BmbH & Co. KG (DE) | 2011-05-05 | — | — | US | disclosed |
| EP-2271625-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009121872-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2009-10-08 | — | — | 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 (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-20110105502-A1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | GOLT1B, SLC10A1, SUGT1 | PDK2 2459/4885DRD2 2992/4885CA12 3112/4885 |
| US-20130203749-A1 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | GOLT1B, SLC10A1, SUGT1 | PDK2 2459/4885DRD2 2992/4885CA12 3112/4885 |
“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.