Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.56 |
| ▸ | HTR3B | O95264 | 3/20 | 0.56 |
| ▸ | HTR3A | P46098 | 3/20 | 0.56 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.56 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 11/20 | 0.49 |
| ▸ | PIM1 | P11309 | 2/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.45 |
| ▸ | HTR2B | P41595 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29668691 | 1.00 | HTR3E (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL21098721 | 0.80 | ALOX5 (0.48) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL21098718 | 0.80 | ALOX5 (0.48) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL3272320 | 0.79 | HTR2C (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL17884815 | 0.79 | HTR2C (0.48) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL30609686 | 0.79 | HTR2C (0.48) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL3266317 | 0.79 | HTR2C (0.56) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL4885307 | 0.79 | PIM1 (0.47) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL4881237 | 0.79 | PIM1 (0.47) | HTR2CPIM1PIM3PIM2HTR2A | |
| SCHEMBL4881229 | 0.79 | PIM1 (0.47) | HTR2CPIM1PIM3PIM2HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345808-B1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | BRISTOL MYERS SQUIBB CO (US) | 1995-01-11 | — | — | EP | disclosed |
| US-4954502-A | Antidepressants | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-09-04 | — | — | US | disclosed |
| EP-0345808-A1 | 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines | Bristol-Myers Squibb Company (US) | 1989-12-13 | — | — | EP | disclosed |