Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 4/20 | 0.35 |
| ▸ | HTR1B | P28222 | 4/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8644915 | 0.88 | PIM1 (0.47) | PIM1HPGDHTR1AHTR2CMTNR1A | |
| SCHEMBL8660428 | 0.81 | HPGD (0.49) | HPGDCYP2C19GPR17MTNR1AMTNR1B | |
| SCHEMBL8650036 | 0.78 | HTR1A (0.51) | PIM1CYP2C19HTR1AHTR2CHTR1D | |
| SCHEMBL8646055 | 0.78 | PIM1 (0.46) | PIM1HTR1AHTR2CHTR1DHTR1B | |
| Oxalic Acid SCHEMBL8659656 | 0.76 | HTR1D (0.54) | PIM1HTR1DHTR1B | |
| SCHEMBL8662842 | 0.75 | HTR1D (0.53) | PIM1HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8662360 | 0.74 | HTR1D (0.42) | HTR1AHTR1DHTR1BMAPTMPO | |
| SCHEMBL8424889 | 0.73 | PIM1 (0.48) | PIM1CYP2C19HTR1AHTR2CMAPT | |
| SCHEMBL8660964 | 0.73 | HTR1D (0.58) | PIM1HTR1AHTR1DHTR1B | |
| SCHEMBL8805866 | 0.72 | HTR1D (0.63) | HTR1AHTR2CHTR1DHTR1BHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5919783-A | Indoline and azaindoline derivatives as 5-HT1D alpha receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1999-07-06 | — | — | US | disclosed |
| US-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |
| EP-0759918-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995032196-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-30 | — | — | WO | disclosed |