Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820809 | 0.76 | GABRA1 (0.65) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL51565 | 0.75 | GABRA1 (0.71) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL29440398 | 0.75 | GABRA1 (0.71) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL15485453 | 0.75 | GABRA1 (1.00) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL43297 | 0.75 | GABRA1 (1.00) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL11597764 | 0.75 | GABRA1 (0.71) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL29531559 | 0.75 | GABRA1 (1.00) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL5357565 | 0.75 | MIF (0.55) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL22444496 | 0.75 | GABRA1 (0.52) | GABRA1GABRB2TSHRPOLBLMNA | |
| SCHEMBL2402247 | 0.74 | ESR1 (0.48) | GABRA1GABRB2TSHRCA2CYP3A4 |
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-1796675-A4 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1796675-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006039252-A2 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO., INC. (US) | 2006-04-13 | — | — | WO | disclosed |
| EP-0807109-A1 | SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT 1D? RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-11-19 | — | — | EP | disclosed |
| EP-0804434-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1997-11-05 | — | — | EP | disclosed |
| EP-0796258-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996023785-A1 | SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-08-08 | — | — | WO | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |