Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | INMT | O95050 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10800315 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TDP1ALOX15CYP3A4TP53 | |
| Timirdine SCHEMBL10799352 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1ALOX15CYP3A4TP53 | |
| Timirdine SCHEMBL10804748 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TDP1ALOX15CYP3A4TP53 | |
| SCHEMBL18611747 | 0.79 | HSD17B10 (0.37) | ALDH1A1INMTMAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL10799647 | 0.79 | KDM4E (0.44) | ALDH1A1TDP1CYP3A4THRBSMN1; SMN2 | |
| SCHEMBL18611087 | 0.77 | KMT2A (0.41) | ALDH1A1CYP3A4SMN1; SMN2MAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL10803754 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTHSD17B10RAB9A | |
| Hydrochloric Acid SCHEMBL10804817 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4SMN1; SMN2MAPT | |
| SCHEMBL18586589 | 0.75 | HSD17B10 (0.33) | CYP3A4TP53INMTHSD17B10 | |
| Hydrochloric Acid SCHEMBL10804198 | 0.75 | KEAP1 (0.43) | ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4665083-A | ANTIDEPRESSANT, ANTIEPILEPTIC, SPASMOLYTIC, ANTIPARKINSONIC | EGIS GYOGYSZERGYAR (HU) | 1987-05-12 | — | — | US | claimed |
| US-4665083-A | ANTIDEPRESSANT, ANTIEPILEPTIC, SPASMOLYTIC, ANTIPARKINSONIC | EGIS GYOGYSZERGYAR (HU) | 1987-05-12 | — | — | US | disclosed |