Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918923 | 0.81 | ALDH1A1 (0.44) | HTTPOLBTDP1LMNAALDH1A1 | |
| SCHEMBL6975828 | 0.77 | XDH (0.42) | LMNAALDH1A1MEN1NPC1CYP3A4 | |
| SCHEMBL5802977 | 0.74 | XDH (0.43) | TDP1LMNAALDH1A1MEN1NPC1 | |
| SCHEMBL3359039 | 0.73 | XDH (0.43) | HTTPOLBTDP1LMNAALDH1A1 | |
| SCHEMBL2088203 | 0.72 | TUBB4A (0.49) | HTTTDP1ALDH1A1MEN1CYP3A4 | |
| SCHEMBL5185989 | 0.70 | PKM (0.40) | TDP1LMNAALDH1A1KMT2ARAB9A | |
| SCHEMBL1940968 | 0.70 | KMT2A (0.55) | HTTPOLBLMNAALDH1A1MEN1 | |
| SCHEMBL27561415 | 0.69 | CYP3A4 (0.41) | HTTPOLBTDP1ALDH1A1MEN1 | |
| SCHEMBL4617811 | 0.69 | ALDH1A1 (0.36) | TDP1LMNAALDH1A1MEN1NPC1 | |
| SCHEMBL3512770 | 0.68 | LDHA (0.61) | POLBTDP1LMNAALDH1A1MEN1 |
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-6221863-B1 | TREATING DEPRESSION IN A PATIENT | AMERICAN HOME PRODUCTS CORP. | 2001-04-24 | — | — | US | disclosed |
| WO-2000040581-A1 | 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |