Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.52 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
| ▸ | GALR3 | O60755 | 3/20 | 0.46 |
| ▸ | NR2F2 | P24468 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17803691 | 0.88 | SLC6A3 (0.62) | SLC6A3EGFRGALR3NR2F2RAB9A | |
| SCHEMBL17803682 | 0.85 | EGFR (0.55) | SLC6A3EGFRGALR3NR2F2RAB9A | |
| SCHEMBL17800059 | 0.83 | SLC6A3 (0.56) | SLC6A3APP | |
| SCHEMBL17803692 | 0.79 | EGFR (0.62) | EGFRGALR3NR2F2RAB9ALMNA | |
| SCHEMBL17800034 | 0.75 | SLC6A3 (0.62) | SLC6A3APP | |
| SCHEMBL17799820 | 0.72 | SLC6A3 (0.51) | SLC6A3LMNASMN1; SMN2TSHRMAPT | |
| SCHEMBL17800057 | 0.72 | SLC6A3 (0.67) | SLC6A3LMNAMAPK1TSHRAPP | |
| SCHEMBL17803701 | 0.70 | NR2F2 (0.62) | EGFRGALR3NR2F2RAB9ALMNA | |
| SCHEMBL17799996 | 0.69 | SLC6A3 (0.66) | SLC6A3LMNAHTTTSHRAPP | |
| SCHEMBL16259077 | 0.69 | EGFR (0.59) | EGFRGALR3NR2F2RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3226867-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | Ananthan, Subramaniam (US) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016090296-A1 | HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS | ANANTHAN SUBRAMANIAM (US) | 2016-06-09 | — | — | WO | disclosed |