Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5095287 | 0.87 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL7764926 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL5339693 | 0.83 | ALDH1A1 (0.77) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL759012 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL9713516 | 0.82 | CYP3A4 (0.61) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8788785 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL15956197 | 0.82 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL28469611 | 0.81 | ALDH1A1 (0.97) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8041829 | 0.81 | CYP3A4 (0.73) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8991913 | 0.81 | ALDH1A1 (0.72) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E |
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-0508682-B1 | Antibiotic carbapenem derivatives | ZENECA LTD (GB) | 1997-07-23 | — | — | EP | disclosed |
| US-5541178-A | THIENAMYCINS | ZENECA LIMITED (GB) | 1996-07-30 | — | — | US | disclosed |
| EP-0508682-A1 | Antibiotic carbapenem derivatives | ZENECA LIMITED (GB) | 1992-10-14 | — | — | EP | disclosed |