Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11272310 | 0.84 | RECQL (0.55) | ALDH1A1CES2CES1RECQLGAA | |
| SCHEMBL11716248 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTALOX15CES2CES1 | |
| SCHEMBL11714368 | 0.83 | ALDH1A1 (0.44) | ALDH1A1MAPTRECQLSMN1; SMN2GAA | |
| SCHEMBL11717520 | 0.82 | RECQL (0.37) | ALDH1A1RECQLGAAPOLBMEN1 | |
| SCHEMBL11715323 | 0.82 | MAPK13 (0.42) | ALDH1A1MAPTALOX15RECQLELANE | |
| SCHEMBL11712393 | 0.82 | MAPK13 (0.43) | ALDH1A1ALOX15RECQLELANENPC1 | |
| SCHEMBL11716112 | 0.81 | CNR2 (0.51) | CDK2GAANPC1LMNA | |
| SCHEMBL28014540 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPTALOX15CES2CES1 | |
| SCHEMBL3837048 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAPTALOX15CES2CES1 | |
| SCHEMBL11273463 | 0.78 | GAA (0.44) | ALDH1A1MAPTALOX15CES2CES1 |
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-RE31071-E | 6-Aza-3H-1,4-benzodiazepines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1982-11-02 | — | — | US | disclosed |
| US-4012397-A | 2-Benzoyl-3-amino-pyridines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-03-15 | — | — | US | disclosed |
| US-4008223-A | SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-02-15 | — | — | US | disclosed |
| US-3969361-A | 2-Benzoyl-3-amino-pyridines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-07-13 | — | — | US | disclosed |