Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 15/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL750267 | 0.79 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3TP53CYP1A2 | |
| SCHEMBL751673 | 0.77 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3485395 | 0.76 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2C9 | |
| SCHEMBL3484560 | 0.76 | SLC6A2 (0.73) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3485124 | 0.74 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3485111 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3484878 | 0.70 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL748764 | 0.65 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL38655698 | 0.64 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL31430125 | 0.63 | PNMT (0.43) | — |
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-9604960-B2 | Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| US-9034899-B2 | Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-05-19 | — | — | US | disclosed |
| US-20150126517-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT | 2015-05-07 | — | — | US | disclosed |
| EP-2429295-B1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | ALBANY MOLECULAR RES INC (US) | 2013-12-25 | — | — | EP | disclosed |
| EP-2429295-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132437-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292242-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-11-18 | — | — | 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-20100292242-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | NLN, HTR3B, HTR2C | SLC6A2 64/4885SLC6A4 98/4885SLC6A3 87/4885 |
| US-20150126517-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | NLN, HTR3B, HTR2C | SLC6A2 64/4885SLC6A4 98/4885SLC6A3 87/4885 |
“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.