Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30281519 | 0.80 | CES1 (0.55) | CES1CES2AKR1B1CALM1TSHR | |
| Iodide SCHEMBL7700647 | 0.78 | CES1 (0.52) | CES1CES2AKR1B1CALM1TSHR | |
| SCHEMBL3368202 | 0.78 | CES1 (0.52) | CES1CES2AKR1B1CALM1TSHR | |
| SCHEMBL15265736 | 0.76 | CES1 (0.50) | CES1CES2AKR1B1CALM1TSHR | |
| SCHEMBL17916186 | 0.76 | CES1 (0.50) | CES1CES2AKR1B1CALM1TSHR | |
| SCHEMBL25675 | 0.76 | CES1 (0.64) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL1238345 | 0.76 | HTR3E (0.57) | CES1CES2AKR1B1IDO1KMT2A | |
| Hydrochloric Acid SCHEMBL183500 | 0.74 | IDO1 (0.56) | CES1CES2AKR1B1IDO1KMT2A | |
| SCHEMBL20768351 | 0.74 | CES2 (0.48) | CES1CES2AKR1B1TSHRIDO1 | |
| SCHEMBL10607972 | 0.74 | CES1 (0.48) | CES1CES2AKR1B1CALM1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3984403-A | PAINLESS INTRAMUSCULAR INJECTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-10-05 | — | — | US | claimed |
| US-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-3984403-A | PAINLESS INTRAMUSCULAR INJECTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-10-05 | — | — | US | disclosed |
| US-3962224-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |