Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.67 |
| ▸ | CA7 | P43166 | 6/20 | 0.67 |
| ▸ | CA9 | Q16790 | 6/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.67 |
| ▸ | CA1 | P00915 | 5/20 | 0.67 |
| ▸ | CA2 | P00918 | 4/20 | 0.67 |
| ▸ | TYR | P14679 | 3/20 | 0.67 |
| ▸ | F3 | P13726 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.61 |
| ▸ | AKR1B10 | O60218 | 6/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.59 |
| ▸ | CA6 | P23280 | 3/20 | 0.59 |
| ▸ | CA5A | P35218 | 3/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7279950 | 1.00 | CA12 (0.67) | CA12CA7CA9CA14CA1 | |
| SCHEMBL3314742 | 0.83 | CA12 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL10891552 | 0.83 | CA12 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL7271259 | 0.82 | MAPT (0.59) | CA12CA7CA9CA14F3 | |
| SCHEMBL8496464 | 0.82 | CA12 (0.69) | CA12CA7CA9CA14CA1 | |
| SCHEMBL7271263 | 0.82 | MAPT (0.59) | CA12CA7CA9CA14F3 | |
| SCHEMBL14583488 | 0.81 | CA12 (0.62) | CA12CA7CA9CA14CA1 | |
| SCHEMBL28498745 | 0.81 | CA12 (0.62) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2033991 | 0.80 | CA12 (0.67) | CA12CA7CA9CA14CA1 | |
| Methyl P-Hydroxycinnamate SCHEMBL547438 | 0.80 | CA12 (1.00) | CA12CA7CA9CA14CA1 |
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 33 patents — showing the first 20. 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 | claimed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4342757-A | Cephalosporin antibiotic compositions | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4324890-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1982-04-13 | — | — | US | claimed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | claimed |
| US-5364848-A | Elastase inhibitors | MERCK & CO., INC. (US) | 1994-11-15 | — | — | US | disclosed |
| US-5132301-A | Substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO., INC. (US) | 1992-07-21 | — | — | US | disclosed |
| US-4891370-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4845088-A | ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1989-07-04 | — | — | US | disclosed |
| US-4797396-A | INHIBITION OF ELASTASE, ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-01-10 | — | — | US | disclosed |
| EP-0267723-A2 | New substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents | MERCK & CO. INC. (US) | 1988-05-18 | — | — | EP | 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 |
| US-4296111-A | 7-Substituted methyl cephalosporins derivatives and analogues thereof | MERCK & CO. INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4259326-A | ANTIBIOTICS, BACTERICIDES | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1981-03-31 | — | — | US | disclosed |
| US-4150156-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4123528-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1978-10-31 | — | — | US | disclosed |
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | disclosed |