Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7321928 | 1.00 | KMT2A (0.50) | KMT2ASMN1; SMN2HTR1AHTR1DMTNR1A | |
| Cycloheptane SCHEMBL8315045 | 0.88 | HTR1A (0.50) | HTR1AHTR1DMTNR1AMTNR1BHPGD | |
| Cyclohexane SCHEMBL8317149 | 0.88 | HTR1A (0.50) | HTR1AHTR1DMTNR1AMTNR1BHPGD | |
| SCHEMBL7318030 | 0.82 | HTR1A (0.56) | SMN1; SMN2HTR1AHTR1DHPGDADRA1A | |
| SCHEMBL7321215 | 0.82 | HTR1A (0.56) | SMN1; SMN2HTR1AHTR1DHPGDADRA1A | |
| SCHEMBL7317381 | 0.82 | HTR1A (0.56) | SMN1; SMN2HTR1AHTR1DHPGDADRA1A | |
| SCHEMBL7307892 | 0.82 | HTR1A (0.56) | SMN1; SMN2HTR1AHTR1DHPGDADRA1A | |
| Hydrochloric Acid SCHEMBL467043 | 0.81 | HTR1A (0.55) | SMN1; SMN2HTR1AHTR1DHPGDADRA1A | |
| SCHEMBL7319406 | 0.78 | CA2 (0.54) | HTR1AHTR1DMTNR1AHPGDOPRM1 | |
| SCHEMBL7114723 | 0.76 | KDM4E (0.48) | HTR1AHTR1DMTNR1AMTNR1BHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5962513-A | CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-05 | — | — | US | disclosed |
| US-5468882-A | Serotoninergic agents; central nervous system and psychological disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-21 | — | — | US | disclosed |
| US-5318988-A | Treating psychoses | BAYER AKTIENGESELLSCHAFT (DE) | 1994-06-07 | — | — | US | disclosed |