Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6163579 | 0.95 | BCHE (0.39) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL6697647 | 0.83 | ALDH1A1 (0.52) | KMT2AGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6696001 | 0.80 | HTR2C (0.39) | PKMGAAKMT2AHTR2CHTR2A | |
| SCHEMBL6165052 | 0.79 | ALDH1A1 (0.47) | KMT2AGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6165678 | 0.79 | GAA (0.49) | PKMGAAKMT2ACYP1A2CYP3A4 | |
| SCHEMBL6697051 | 0.78 | GAA (0.52) | PKMGAAKMT2A | |
| SCHEMBL6694052 | 0.78 | PKM (0.37) | PKMGAAKMT2AHTR2CHTR2A | |
| SCHEMBL6699406 | 0.77 | PKM (0.41) | PKMGAAKMT2ACYP1A2CYP3A4 | |
| SCHEMBL6170334 | 0.77 | IMPDH2 (0.45) | PKMGAAKMT2A | |
| SCHEMBL6696915 | 0.77 | GAA (0.43) | PKMGAAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | HTR3E 440/4885HTR3B 468/4885HTR3A 550/4885 |
| US-20040138284-A1 | Indol-3-yl derivatives | ITGB3, ITGB1, IGF1R | HTR3E 126/4885HTR3B 229/4885HTR3A 248/4885 |
“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.