Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17044148 | 0.89 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3 | |
| SCHEMBL6087730 | 0.85 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3 | |
| SCHEMBL4201771 | 0.78 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3 | |
| SCHEMBL4028017 | 0.77 | HTR6 (0.49) | KMT2AHDAC8HDAC6 | |
| SCHEMBL17044150 | 0.77 | CYP1A2 (0.46) | ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3 | |
| SCHEMBL17044139 | 0.75 | CYP19A1 (0.46) | ALDH1A1CYP19A1TSHRHPGDHTT | |
| SCHEMBL28563201 | 0.74 | PPARG (0.48) | ALDH1A1SMN1; SMN2MAPTGALR3RAB9A | |
| SCHEMBL695256 | 0.74 | KMT2A (0.37) | ALDH1A1SMN1; SMN2MAPTCYP19A1TSHR | |
| SCHEMBL4203247 | 0.73 | PLG (0.49) | ALDH1A1SMN1; SMN2MAPTGALR3RAB9A | |
| SCHEMBL4035941 | 0.71 | SLC2A1 (0.45) | ALDH1A1PKMKDM4EMEN1KMT2A |
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-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | disclosed |