Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10706767 | 0.86 | ALDH1A1 (0.37) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL11096330 | 0.82 | CYP3A4 (0.45) | ALDH1A1HPGDLMNAPOLBHTT | |
| SCHEMBL9001562 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL30487115 | 0.78 | HPGD (0.42) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL13619904 | 0.78 | HPGD (0.42) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL968908 | 0.76 | LMNA (0.56) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL3347914 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDTDP1TSHRLMNA | |
| Zinc Ion SCHEMBL664341 | 0.74 | TSHR (0.39) | ALDH1A1HPGDTDP1TSHRLMNA | |
| Hydrochloric Acid SCHEMBL10917756 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HPGDTDP1TSHRLMNA | |
| SCHEMBL664342 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HPGDTDP1TSHRLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0019401-B1 | PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN | Lilly Industries Limited (GB) | 1984-03-21 | — | — | EP | disclosed |
| US-4301280-A | Preparation of 3-substituted cephalosporins | LILLY INDUSTRIES LIMITED (GB) | 1981-11-17 | — | — | US | disclosed |
| EP-0019401-A1 | Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin | Lilly Industries Limited (GB) | 1980-11-26 | — | — | EP | disclosed |