Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8117765 | 0.94 | ALK (0.43) | ALKMETAP1PKMSMN1; SMN2KDM4E | |
| SCHEMBL8119108 | 0.79 | MAPT (0.47) | TYMSSMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL27576667 | 0.77 | HTR6 (0.41) | PKMSMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL8114579 | 0.75 | MEN1 (0.60) | ALDH1A1GAAHTT | |
| SCHEMBL6180465 | 0.75 | HTR1A (0.59) | HRH4 | |
| SCHEMBL8112067 | 0.73 | MAPT (0.49) | SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL8118842 | 0.71 | NCF1 (0.46) | METAP1PKMALDH1A1GAAADRB2 | |
| SCHEMBL10268352 | 0.69 | NCF1 (0.67) | METAP1ADRB2KCNH2NPC1HRH4 | |
| SCHEMBL7533495 | 0.69 | MEN1 (0.61) | KDM4EALDH1A1GAAHTT | |
| SCHEMBL7533497 | 0.69 | NCF1 (0.48) | METAP1PKMALDH1A1GAAADRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047691-A1 | QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999031086-A1 | QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |