Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 2/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11221971 | 0.91 | CYP2A6 (0.58) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL3048243 | 0.84 | CYP2A6 (0.54) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL4231274 | 0.82 | CYP2A6 (0.51) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL6964036 | 0.81 | CYP2A6 (0.54) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL27988239 | 0.81 | CYP2A6 (0.50) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL5538543 | 0.79 | CYP2A6 (0.63) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL29534459 | 0.77 | CYP2A6 (0.61) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL631264 | 0.77 | CYP2A6 (0.61) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL10951516 | 0.76 | CYP2A6 (0.47) | CYP2A6AGXTADRB2ASIC3LOXL2 | |
| SCHEMBL11215245 | 0.76 | CYP2A6 (0.59) | CYP2A6AGXTADRB2ASIC3LOXL2 |
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-4343937-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4342757-A | Cephalosporin antibiotic compositions | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4324890-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | disclosed |