Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL1128239 | 1.00 | CTSS (0.47) | CTSSCTSKALDH1A1L3MBTL1POLB | |
| SCHEMBL22346129 | 0.89 | CTSS (0.44) | CTSSCTSKALDH1A1L3MBTL1POLB | |
| SCHEMBL7432219 | 0.87 | PSENEN (0.43) | CTSSCTSKALDH1A1POLBPSENEN | |
| SCHEMBL7432224 | 0.87 | PSENEN (0.43) | CTSSCTSKALDH1A1POLBPSENEN | |
| SCHEMBL16894118 | 0.86 | CTSK (0.42) | CTSSCTSKKMT2ACYP2D6MEN1 | |
| SCHEMBL4372563 | 0.86 | CTSK (0.42) | CTSSCTSKKMT2ACYP2D6MEN1 | |
| SCHEMBL3958728 | 0.86 | CTSK (0.42) | CTSSCTSKKMT2ACYP2D6MEN1 | |
| SCHEMBL15674495 | 0.86 | CTSS (0.35) | CTSSCTSKALDH1A1L3MBTL1POLB | |
| SCHEMBL15674990 | 0.83 | CTSS (0.34) | CTSSCTSKALDH1A1KMT2ACYP2D6 | |
| SCHEMBL7437607 | 0.80 | CTSK (0.41) | CTSSCTSKCYP2C9CYP2C19GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067881-B2 | 4-tolyl-ethynyl-octahydro-indole-1-ester derivatives | NOVARTIS AG (CH) | 2015-06-30 | — | — | US | disclosed |
| EP-2668159-A1 | 4-TOLYL-ETHYNYL-OCTAHYDRO-INDOLE-1-ESTER DERIVATIVES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| US-20130303538-A1 | 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives | NOVARTIS PHARMA AG (CH) | 2013-11-14 | — | — | US | disclosed |
| WO-2012101058-A1 | 4-TOLYL-ETHYNYL-OCTAHYDRO-INDOLE-1-ESTER DERIVATIVES | NOVARTIS AG (CH) | 2012-08-02 | — | — | 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-20130303538-A1 | 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives | TPH1, IDO1, TPH2 | CTSS 3602/4885CTSK 3789/4885ALDH1A1 224/4885 |
“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.