Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL8155948 | 0.84 | NOTUM (0.54) | SLC2A1NOTUMTSHRALDH1A1KDM4E | |
| SCHEMBL8118270 | 0.83 | NOTUM (0.55) | SLC2A1NOTUMTSHRALDH1A1KDM4E | |
| SCHEMBL6609195 | 0.83 | HTR1B (0.48) | NOTUMHTR1AHTR1DHTR1B | |
| SCHEMBL6609198 | 0.83 | HTR1B (0.48) | NOTUMHTR1AHTR1DHTR1B | |
| SCHEMBL8136268 | 0.82 | NOTUM (0.48) | NOTUMTSHRALDH1A1KDM4EHPGD | |
| SCHEMBL8130057 | 0.80 | TSHR (0.46) | NOTUMTSHREGFRALDH1A1KDM4E | |
| SCHEMBL8130919 | 0.80 | NOTUM (0.54) | NOTUMTSHRALDH1A1KDM4EHPGD | |
| SCHEMBL8148793 | 0.79 | NOTUM (0.54) | NOTUMALDH1A1KDM4EHPGDACLY | |
| SCHEMBL21469189 | 0.79 | NOTUM (0.58) | NOTUMALDH1A1KDM4EHPGDACLY | |
| SCHEMBL15640026 | 0.78 | NOTUM (0.59) | NOTUMALDH1A1KDM4EHPGDACLY |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6159979-A | Bicyclic aryl or a bicyclic heterocyclic ring containing compounds having a combined 5HT1A, 5HT1B and 5HT1D receptor antagonistic activity | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-12-12 | — | — | US | disclosed |
| CN-1260781-A | Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity | SMITHKLINE BEECHAM PLC (GB) | 2000-07-19 | — | — | CN | disclosed |
| EP-0975593-A1 | INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2000-02-02 | — | — | EP | disclosed |
| EP-0975614-A1 | A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2000-02-02 | — | — | EP | disclosed |
| WO-1999029666-A1 | ARYLPIPERAZINE AND ARYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-17 | — | — | WO | disclosed |
| WO-1998050358-A1 | INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1998-11-12 | — | — | WO | disclosed |
| WO-1998047885-A1 | A BICYCLIC ARYL OR A BICYCLIC HETEROCYCLIC RING CONTAINING COMPOUNDS HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTIC ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1998-10-29 | — | — | WO | disclosed |