Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8633575 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL8081834 | 0.79 | POLB (0.55) | ALDH1A1SMN1; SMN2KMT2APOLBKDM4E | |
| SCHEMBL3594763 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL1496370 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL4018746 | 0.76 | KDR (0.66) | ALDH1A1SMN1; SMN2TP53POLBRAB9A | |
| Hydrochloric Acid SCHEMBL10517128 | 0.76 | ALDH1A1 (0.97) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL15314446 | 0.76 | ALDH1A1 (0.70) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL3417681 | 0.76 | ALDH1A1 (0.78) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL4018329 | 0.75 | ALDH1A1 (0.83) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A | |
| SCHEMBL14291480 | 0.75 | MEN1 (0.73) | ALDH1A1CYP2C9SMN1; SMN2TP53KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0851771-A2 | N2S2-TYPE BI-FUNCTIONAL NICOTINAMIDE CHELATING AGENTS FOR RADIOACTIVE ISOTOPES | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997010853-A2 | N2S2-TYPE BI-FUNCTIONAL NICOTINAMIDE CHELATING AGENTS FOR RADIOACTIVE ISOTOPES | Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) | 1997-03-27 | — | — | WO | disclosed |