Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3917690 | 0.83 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL13107222 | 0.83 | TSHR (0.46) | TSHRCYP1A2SMN1; SMN2CYP3A4HRH3 | |
| SCHEMBL3962258 | 0.81 | CYP1A2 (0.58) | TSHRCYP1A2SMN1; SMN2HRH3MEN1 | |
| SCHEMBL7765919 | 0.79 | CYP1A2 (0.64) | TSHRCYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL1455911 | 0.79 | CYP1A2 (0.50) | CYP1A2ALDH1A1MEN1HTTKMT2A | |
| SCHEMBL8285758 | 0.77 | TSHR (0.38) | TSHRCYP1A2SMN1; SMN2CYP3A4HRH3 | |
| SCHEMBL7519477 | 0.77 | CYP1A2 (0.48) | TSHRCYP1A2ALDH1A1MEN1THRB | |
| SCHEMBL7925522 | 0.76 | GNAO1 (0.47) | TSHRCYP1A2SMN1; SMN2 | |
| SCHEMBL771485 | 0.75 | — | — | |
| SCHEMBL9431895 | 0.74 | SPHK2 (0.40) | CYP1A2ALDH1A1TDP1MEN1THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-5925642-A | ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-07-20 | — | — | US | disclosed |
| EP-0863899-A1 | PYRIDOPYRIMIDINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| US-5668131-A | CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-09-16 | — | — | US | disclosed |
| WO-1997019946-A1 | PYRIDOPYRIMIDINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |
| EP-0731801-A1 | SUBSTITUTED AMINOALKYLAMINOPYRIDINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1996-09-18 | — | — | EP | disclosed |
| WO-1996000224-A1 | 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-01-04 | — | — | WO | disclosed |
| WO-1995015324-A1 | SUBSTITUTED AMINOALKYLAMINOPYRIDINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-06-08 | — | — | WO | disclosed |
| US-3998827-A | HYPOTENSIVE AGENTS | THE UPJOHN COMPANY (US) | 1976-12-21 | — | — | US | disclosed |
| US-3933806-A | Cephalosporin michael adducts | ELI LILLY AND COMPANY (US) | 1976-01-20 | — | — | US | disclosed |