Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 4/20 | 0.74 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11606399 | 0.92 | OPRK1 (0.63) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11619631 | 0.90 | OPRK1 (0.60) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11608547 | 0.88 | HPGD (0.65) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11356996 | 0.88 | HPGD (0.62) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11761784 | 0.88 | HPGD (0.62) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11711221 | 0.88 | OPRK1 (0.58) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11821944 | 0.88 | HPGD (0.59) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11608673 | 0.88 | HPGD (0.59) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11761416 | 0.88 | OPRK1 (0.58) | OPRK1HPGDGABRA1GABRA5GABRA2 | |
| SCHEMBL11822613 | 0.87 | HPGD (0.60) | OPRK1HPGDGABRA1GABRA5GABRA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4250094-A | SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS, AND ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4081452-A | Novel derivatives of 4H-s-triazolo[4,3-α][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-4039551-A | 1-[(Hydroxyamino)methyl]-6-aryl-4H-s-triazolo[4,3-a][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1977-08-02 | — | — | US | disclosed |
| US-4009175-A | 1-[(Aminooxy)-methyl]-6-substituted-4H-s-triazolo[4,3-a][1,4] benzodiazepines | THE UPJOHN COMPANY (US) | 1977-02-22 | — | — | US | disclosed |