Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.70 |
| ▸ | DRD2 | P14416 | 3/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.70 |
| ▸ | DRD3 | P35462 | 3/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.70 |
| ▸ | DRD1 | P21728 | 2/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | PRNP | P04156 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
| ▸ | HRH1 | P35367 | 4/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL7565495 | 0.88 | HRH1 (0.74) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| SCHEMBL24439565 | 0.85 | HRH1 (0.77) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| SCHEMBL4730313 | 0.85 | HTR1A (0.76) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| SCHEMBL9380936 | 0.84 | HTR1A (0.74) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| SCHEMBL29062451 | 0.84 | HTR1A (0.74) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| SCHEMBL9475738 | 0.83 | HTR1A (0.77) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| Acepromazine SCHEMBL73018 | 0.82 | CYP2D6 (1.00) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| Acepromazine SCHEMBL29582179 | 0.82 | CYP2D6 (1.00) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| Acepromazine SCHEMBL29441481 | 0.82 | CYP2D6 (1.00) | HTR1ADRD2SLC6A2SLC6A4ADRA1A | |
| Acepromazine SCHEMBL28142113 | 0.82 | CYP2D6 (1.00) | HTR1ADRD2SLC6A2SLC6A4ADRA1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0689845-B1 | Conjugates of methyltrithio antitumor agents and intermediates for their synthesis | AMERICAN CYANAMID CO (US) | 2002-09-04 | — | — | EP | disclosed |
| US-5877296-A | REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS | AMERICAN CYANAMID COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5773001-A | ANTIGROWTH AGENTS | AMERICAN CYANAMID COMPANY (US) | 1998-06-30 | — | — | US | disclosed |
| US-5767285-A | USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1998-06-16 | — | — | US | disclosed |
| US-5739116-A | DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS | AMERICAN CYANAMID COMPANY (US) | 1998-04-14 | — | — | US | disclosed |
| EP-0689845-A2 | Conjugates of methyltrithio antitumor agents and intermediates for their synthesis | AMERICAN CYANAMID COMPANY (US) | 1996-01-03 | — | — | EP | disclosed |