Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TDP2 | O95551 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | GALK1 | P51570 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436317 | 0.82 | ALDH1A1 (0.62) | ALDH1A1GAATDP1TSHRSMN1; SMN2 | |
| SCHEMBL12363559 | 0.82 | CYP3A4 (0.68) | ALDH1A1CYP3A4GAATDP1SMN1; SMN2 | |
| SCHEMBL14804200 | 0.80 | CYP3A4 (0.53) | ALDH1A1CYP3A4GAATSHRSMN1; SMN2 | |
| SCHEMBL9785694 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAATDP1TSHRSMN1; SMN2 | |
| SCHEMBL1939038 | 0.79 | CYP3A4 (0.56) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| SCHEMBL3436393 | 0.77 | KDM4E (0.66) | ALDH1A1TDP1TSHRKMT2AKDM4E | |
| SCHEMBL11457763 | 0.77 | KMT2A (0.46) | ALDH1A1GAATDP1TSHRMAPT | |
| SCHEMBL3436359 | 0.76 | NOTUM (0.54) | ALDH1A1GAATDP1TSHRSMN1; SMN2 | |
| SCHEMBL31381256 | 0.76 | NOTUM (0.68) | ALDH1A1TDP1MAPTRAB9ANPSR1 | |
| SCHEMBL21180887 | 0.76 | PTGES (0.53) | ALDH1A1TDP1POLBPKMKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0121972-B1 | N-ARYL-ALPHA-AMINO-CARBOXAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-24 | — | — | EP | disclosed |