Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.60 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | BRD4 | O60885 | 2/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11826475 | 0.91 | OPRK1 (0.62) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11385248 | 0.91 | OPRK1 (0.73) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11687182 | 0.90 | OPRK1 (0.53) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11378371 | 0.88 | OPRK1 (0.56) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11833086 | 0.87 | OPRK1 (0.65) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11825820 | 0.87 | OPRK1 (0.70) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11863031 | 0.87 | OPRK1 (0.55) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL10404510 | 0.87 | CYP3A4 (0.56) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL11605723 | 0.86 | OPRK1 (0.56) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 | |
| SCHEMBL7327610 | 0.86 | OPRK1 (0.81) | OPRK1HPGDSMN1; SMN2RECQLGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4075221-A | ALKYLATION WITH DIALKYLMETHYLENEAMMONIUM SALT IN PRESENCE OF REACTIVE CARBOXYLIC ACYLATING AGENT | THE UPJOHN COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-3994940-A | Preparation of 1-(2-(dimethylamino)ethyl)-6-phenyl-4H-5-triazolo(4,3-a)(1,4)benzodiazepines | THE UPJOHN COMPANY (US) | 1976-11-30 | — | — | US | disclosed |