Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 6/20 | 0.40 |
| ▸ | MAOB | P27338 | 6/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7976822 | 0.77 | ALDH1A1 (0.39) | ACHEALDH1A1MAOAMAOBBAZ2B | |
| SCHEMBL29649260 | 0.77 | MAOA (0.48) | MAOAMAOBCYP2A6BAZ2BPRKCI | |
| SCHEMBL6076319 | 0.77 | MAOA (0.48) | MAOAMAOBCYP2A6BAZ2BPRKCI | |
| SCHEMBL7714618 | 0.73 | TYMS (0.45) | MAOAMAOBCYP2A6BAZ2BPRKCI | |
| SCHEMBL7237468 | 0.70 | MAOA (0.48) | ACHEALDH1A1MAOAMAOBCYP2A6 | |
| SCHEMBL315282 | 0.70 | MAOA (0.53) | MAOAMAOBCYP2A6BAZ2BPRKCI | |
| SCHEMBL20244667 | 0.70 | ALDH1A1 (0.53) | ACHEALDH1A1KMT2ANPSR1 | |
| SCHEMBL18159338 | 0.69 | NPC1 (0.53) | ALDH1A1MAOAMAOBCYP2A6BAZ2B | |
| SCHEMBL4455438 | 0.69 | ALDH1A1 (0.54) | ACHEALDH1A1CYP2A6 | |
| SCHEMBL30772981 | 0.69 | ALDH1A1 (0.54) | ACHEALDH1A1CYP2A6 |
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-5607928-A | Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives | ZENECA LIMITED (GB) | 1997-03-04 | — | — | US | disclosed |
| EP-0695753-A1 | Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use | ZENECA LIMITED (GB) | 1996-02-07 | — | — | EP | disclosed |