Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11539714 | 1.00 | CYP2C19 (0.42) | CYP2C19GAAPGRPOLBAKR1C3 | |
| SCHEMBL20015645 | 0.85 | ESR1 (0.47) | CYP2C19PGRAKR1C3LMNAALDH1A1 | |
| SCHEMBL3958996 | 0.78 | TSHR (0.48) | CYP2C19GAAPOLBF2LMNA | |
| SCHEMBL3689392 | 0.78 | TSHR (0.48) | CYP2C19GAAPOLBF2LMNA | |
| SCHEMBL8007984 | 0.78 | TSHR (0.48) | CYP2C19GAAPOLBF2LMNA | |
| SCHEMBL6292707 | 0.76 | GAA (0.39) | CYP2C19GAAPOLBLMNACES2 | |
| SCHEMBL11535484 | 0.75 | SMN1; SMN2 (0.49) | POLBLMNACES2CES1TSHR | |
| SCHEMBL6153118 | 0.75 | PKM (0.53) | GAALMNATSHRALDH1A1TDP1 | |
| SCHEMBL11399000 | 0.74 | CYP2C19 (0.46) | CYP2C19GAAPOLBF2LMNA | |
| SCHEMBL9254279 | 0.73 | CES2 (0.50) | CES2CES1TSHRALDH1A1L3MBTL1 |
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-4138555-A | BACTERICIDES | GLAXO LABORATORIES, LIMITED (GB) | 1979-02-06 | — | — | US | disclosed |
| US-4122259-A | 7β-[2-Aryl-2-(etherified oximino)acetamido]-3-N-substituted carbamoyloxymethylceph-3-em-4-carboxylic acids | GLAXO LABORATORIES LIMITED (GB) | 1978-10-24 | — | — | US | disclosed |