Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | UGCG | Q16739 | 2/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14527709 | 0.80 | NPC1 (0.57) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL9077198 | 0.77 | NPC1 (0.59) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL19423003 | 0.75 | MGLL (0.50) | NPC1RAB9AGAAMAPTCTSG | |
| SCHEMBL7842655 | 0.75 | RAB9A (0.58) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL9834330 | 0.74 | KMT2A (0.61) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL17704774 | 0.72 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL15240944 | 0.72 | MEN1 (0.58) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL19422989 | 0.71 | NPC1 (0.43) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL13464710 | 0.71 | NPC1 (0.52) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL29874794 | 0.71 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3438105-A1 | DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | Fudan University (CN) | 2019-02-06 | — | — | EP | disclosed |
| WO-2017167183-A1 | DIARYL-Β-LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 复旦大学 | 2017-10-05 | — | — | WO | disclosed |
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |