Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3132616 | 1.00 | ALDH1A1 (0.36) | ALDH1A1MAPTCYP3A4TDP1TP53 | |
| SCHEMBL2789164 | 0.71 | GABRA5 (0.51) | ALDH1A1MAPTTP53HTTNPSR1 | |
| SCHEMBL3999942 | 0.71 | GABRA5 (0.51) | ALDH1A1MAPTTP53HTTNPSR1 | |
| SCHEMBL4824847 | 0.71 | GABRA5 (0.47) | ALDH1A1MAPTTP53HTTNPSR1 | |
| SCHEMBL8940333 | 0.70 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4HTTNPSR1 | |
| SCHEMBL8896790 | 0.70 | NPC1 (0.47) | ALDH1A1MAPTTDP1HTTGABRA5 | |
| SCHEMBL8896803 | 0.70 | NPC1 (0.47) | ALDH1A1MAPTTDP1HTTGABRA5 | |
| Hydrochloric Acid SCHEMBL8913011 | 0.70 | GABRA5 (0.50) | ALDH1A1MAPTTP53HTTNPSR1 | |
| SCHEMBL4731844 | 0.69 | TDP1 (0.39) | ALDH1A1MAPTCYP3A4TDP1NPC1 | |
| SCHEMBL1583122 | 0.69 | TDP1 (0.39) | ALDH1A1MAPTCYP3A4TDP1NPC1 |
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-0640608-B1 | Intermediates in the synthesis of cephalosporins | BIOCHEMIE GMBH (AT) | 2001-11-28 | — | — | EP | disclosed |
| US-5639877-A | AMIDINE SALT OF 7-AMINO-3-HYDROXYMETHYL-3-CEPHEM-4-CARBOXYLIC ACID | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 1997-06-17 | — | — | US | disclosed |
| EP-0640608-A1 | Intermediates in the synthesis of cephalosporins | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 1995-03-01 | — | — | EP | disclosed |