Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | CCND1 | P24385 | 1/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17680839 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL527866 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL3203877 | 0.81 | PKM (0.68) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL3203883 | 0.81 | PKM (0.68) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL27034825 | 0.80 | HDAC3 (0.53) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL2562519 | 0.80 | MAPT (0.55) | ALDH1A1HSD17B10MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2562520 | 0.80 | MAPT (0.55) | ALDH1A1HSD17B10MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL21892100 | 0.79 | MAPT (0.58) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL7188116 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10CYP1A2MAPTLMNA | |
| SCHEMBL9000417 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10CYP1A2MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6566355-B1 | Useful in combination with beta -lactam antibiotics in the control of beta -lactamase forming pathogens | HOFFMANN-LA ROCHE INC. | 2003-05-20 | — | — | US | disclosed |
| US-5698577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0508234-B1 | Beta-lactames | HOFFMANN LA ROCHE (CH) | 1996-07-24 | — | — | EP | disclosed |
| US-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | disclosed |