Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PRKDC | P78527 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5883035 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL9041627 | 0.81 | HSP90AB1 (0.44) | ALDH1A1KDM4EMAPTERN1HPGD | |
| SCHEMBL14335628 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL29420185 | 0.80 | CYP3A4 (0.62) | ALDH1A1KDM4ECYP3A4HSD17B10HMGCR | |
| SCHEMBL30289156 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL2390691 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL7531278 | 0.77 | TNFSF11 (0.44) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL9990598 | 0.76 | MTNR1A (0.60) | CYP3A4MTNR1AMTNR1BLMNASMN1; SMN2 | |
| SCHEMBL29025520 | 0.76 | MTNR1A (0.60) | ALDH1A1TSHRCYP3A4HMGCRMTNR1A | |
| SCHEMBL13625831 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KDM4ETSHRTDP1PRKDC |
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 |
|---|---|---|---|---|---|---|---|
| EP-0412763-B1 | Cephalosporins, processes for their preparation, pharmaceutical compositions containing them and intermediates therefor | ZENECA LTD (GB) | 1996-07-10 | — | — | EP | disclosed |
| US-5219848-A | Bactericides | ICI PHARMA (FR) | 1993-06-15 | — | — | US | disclosed |