Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17258741 | 0.78 | PSIP1 (0.39) | TSHRALDH1A1RELATDP1CYP2A6 | |
| Styrene SCHEMBL9615578 | 0.71 | ALDH1A1 (0.58) | SMN1; SMN2TSHRALDH1A1RELAAKR1C3 | |
| SCHEMBL9248249 | 0.70 | AKR1C3 (0.43) | SMN1; SMN2TSHRALDH1A1RELAAKR1C3 | |
| Trimethylammonium SCHEMBL8097278 | 0.69 | HTT (0.47) | SMN1; SMN2ALDH1A1RELAGLATDP1 | |
| SCHEMBL3269032 | 0.69 | RELA (0.46) | TSHRALDH1A1RELAAKR1C3CYP2A6 | |
| SCHEMBL169417 | 0.69 | RELA (0.46) | TSHRALDH1A1RELAAKR1C3GLA | |
| Biphenyl SCHEMBL27184952 | 0.69 | ALDH1A1 (0.45) | SMN1; SMN2TSHRALDH1A1MAPTKMT2A | |
| (Z)-1,2-Diphenylethene SCHEMBL8520704 | 0.67 | LMNA (0.54) | SMN1; SMN2ALDH1A1GLATDP1MAPT | |
| (Z)-1,2-Diphenylethene SCHEMBL8520705 | 0.67 | LMNA (0.54) | SMN1; SMN2ALDH1A1GLATDP1MAPT | |
| SCHEMBL3043906 | 0.67 | CA12 (0.52) | SMN1; SMN2TSHRMAPTKMT2ALMNA |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4839352-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-06-13 | — | — | US | claimed |
| US-4342869-A | Cephalosporin antibiotics | 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-4310459-A | Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | claimed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | claimed |
| US-3987040-A | 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | claimed |
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4891370-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4847247-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| US-4839352-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-06-13 | — | — | US | disclosed |
| US-4797396-A | INHIBITION OF ELASTASE, ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-01-10 | — | — | US | disclosed |
| US-4717722-A | ELASTASE INHIBITORS | MERCK & CO., INC. (US) | 1988-01-05 | — | — | US | disclosed |
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4071529-A | Derivatives of 6-aminopenicillanic acid | MERCK & CO., INC. (US) | 1978-01-31 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4035359-A | 6α, β-Substituted penicillin derivatives | MERCK & CO., INC. (US) | 1977-07-12 | — | — | US | disclosed |
| US-4032521-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |
| US-3974151-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1976-08-10 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |