Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.68 |
| ▸ | HPGD | P15428 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4220065 | 0.81 | ALDH1A1 (0.69) | ALDH1A1HPGDLMNASMN1; SMN2POLB | |
| SCHEMBL3027076 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HPGDLMNAKDM4ESMN1; SMN2 | |
| SCHEMBL602492 | 0.77 | ALDH1A1 (0.69) | ALDH1A1HPGDLMNAPOLBHTT | |
| SCHEMBL2644442 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HPGDLMNANPC1RAB9A | |
| SCHEMBL10007616 | 0.77 | ALDH1A1 (1.00) | ALDH1A1HPGDLMNAKDM4ESMN1; SMN2 | |
| SCHEMBL15884611 | 0.75 | ALDH1A1 (0.70) | ALDH1A1HPGDLMNAKDM4ERAB9A | |
| Hydrogen Sulfide SCHEMBL28084028 | 0.75 | ALDH1A1 (0.96) | ALDH1A1HPGDLMNANPC1RAB9A | |
| SCHEMBL10022384 | 0.74 | KDM4E (1.00) | ALDH1A1HPGDLMNAKDM4ENPC1 | |
| SCHEMBL3738122 | 0.73 | ALDH1A1 (1.00) | ALDH1A1HPGDLMNAKDM4ESMN1; SMN2 | |
| SCHEMBL3467136 | 0.73 | ALDH1A1 (0.63) | ALDH1A1HPGDLMNAPOLBHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-9834521-B2 | Choline kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |