Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MDH2 | P40926 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6697647 | 0.95 | ALDH1A1 (0.52) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6163579 | 0.84 | BCHE (0.39) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6697085 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6170288 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6696489 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6697020 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6696892 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6696940 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 | |
| SCHEMBL6695087 | 0.79 | HTR3E (0.39) | SMN1; SMN2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6702687 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDMDH2SMN1; SMN2TRPM8 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1254133-B9 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-09-07 | — | — | EP | disclosed |
| CN-1214026-C | Indol-3-yl derivatives | MERCK PATENT GMBH (DE) | 2005-08-10 | — | — | CN | disclosed |
| EP-1254133-B1 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-20040138284-A1 | Indol-3-yl derivatives | WIESNER MATTHIAS | 2004-07-15 | — | — | US | disclosed |
| US-6743810-B2 | INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC | MERCK PATENT GMBH (DE) | 2004-06-01 | — | — | US | disclosed |
| US-20030045728-A1 | Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation | MERCK PATENT GMBH (DE) | 2003-03-06 | — | — | US | disclosed |
| CN-1398264-A | Indol-3-yl derivatives | MERCK PATENT GMBH (DE) | 2003-02-19 | — | — | CN | disclosed |
| EP-1254133-A2 | INDOL-3-YL DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058893-A2 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-08-16 | — | — | 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-20030045728-A1 | Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation | IGF1R, IDO1, ITGB3 | ALDH1A1 2063/4885HPGD 2025/4885MDH2 3995/4885 |
| US-20040138284-A1 | Indol-3-yl derivatives | ITGB3, ITGB1, IGF1R | ALDH1A1 2529/4885HPGD 3437/4885MDH2 3644/4885 |
“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.