Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.49 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.49 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8985088 | 0.93 | MTNR1A (0.54) | HTR1ADRD2IDO1PTGER1PTGER4 | |
| SCHEMBL8577017 | 0.92 | HTR1A (0.46) | NQO2HTR1ADRD2IDO1PTGER1 | |
| SCHEMBL5786629 | 0.85 | NQO2 (0.52) | NQO2HTR1ADRD2IDO1MTNR1A | |
| SCHEMBL3884320 | 0.84 | SYK (0.46) | NQO2IDO1PTGER1SYKBCHE | |
| SCHEMBL7778567 | 0.84 | KDM4E (0.55) | HTR1AIDO1SYKBCHECNR2 | |
| SCHEMBL6874085 | 0.84 | NQO2 (0.51) | NQO2HTR1ADRD2IDO1MTNR1A | |
| SCHEMBL25300742 | 0.83 | MTNR1A (0.56) | IDO1BCHEABCB1MTNR1AMTNR1B | |
| SCHEMBL30517507 | 0.83 | MTNR1A (0.56) | IDO1BCHEABCB1MTNR1AMTNR1B | |
| SCHEMBL28075068 | 0.83 | HTR1A (0.49) | HTR1ADRD2PTGER1PTGER4PTGER3 | |
| SCHEMBL8419482 | 0.83 | MTNR1A (0.67) | NQO2DRD2IDO1MTNR1AMTNR1B |
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-0815105-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028441-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-09-19 | — | — | WO | disclosed |