Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KCNK13 | Q9HB14 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL13372830 | 0.89 | TAAR1 (0.80) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9243 | 0.83 | TAAR1 (1.00) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Fluoride SCHEMBL28130014 | 0.82 | TAAR1 (0.96) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL27290500 | 0.82 | TAAR1 (0.96) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Bromide SCHEMBL29135558 | 0.82 | TAAR1 (0.96) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL11295562 | 0.82 | TAAR1 (0.69) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Methane SCHEMBL28185797 | 0.82 | TAAR1 (0.96) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| Ammonia Solution, Strong SCHEMBL27639428 | 0.82 | TAAR1 (0.96) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL177767 | 0.80 | TAAR1 (0.67) | TAAR1HTR1AHRH3ADRA2AADRA2B | |
| SCHEMBL3645596 | 0.80 | TAAR1 (0.67) | TAAR1HTR1AADRA2AADRA2BADRA2C |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1417177-A4 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-10-19 | — | — | EP | disclosed |
| CN-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |
| EP-1417177-A2 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | Bristol-Myers Squibb Pharma Company (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003007883-A2 | ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2003-01-30 | — | — | WO | disclosed |
| CN-1297442-A | 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents | DU PONT PHARM CO (US) | 2001-05-30 | — | — | CN | disclosed |
| EP-1071668-A1 | 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | Du Pont Pharmaceuticals Company (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054308-A1 | 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |