Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 4/20 | 0.48 |
| ▸ | ELOVL1 | Q9BW60 | 2/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31125559 | 0.87 | HDAC4 (0.59) | HDAC4ELOVL1AKR1C1HCAR2OPRL1 | |
| SCHEMBL301133 | 0.87 | HDAC4 (0.59) | HDAC4ELOVL1AKR1C1HCAR2OPRL1 | |
| SCHEMBL1627778 | 0.83 | HDAC4 (0.51) | HDAC4ELOVL1AKR1C1ALDH1A1NPC1 | |
| SCHEMBL30501854 | 0.82 | HDAC4 (0.62) | HDAC4ELOVL1AKR1C1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3184587 | 0.82 | HDAC4 (0.67) | HDAC4ELOVL1AKR1C1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31580968 | 0.82 | HDAC4 (0.67) | HDAC4ELOVL1AKR1C1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5637311 | 0.82 | HDAC4 (0.62) | HDAC4ELOVL1AKR1C1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2867660 | 0.80 | HDAC4 (0.65) | HDAC4ELOVL1AKR1C1ALDH1A1MEN1 | |
| SCHEMBL29567033 | 0.80 | HDAC4 (0.65) | HDAC4ELOVL1AKR1C1ALDH1A1MEN1 | |
| SCHEMBL735386 | 0.79 | AKR1C1 (0.61) | HDAC4AKR1C1ALDH1A1POLBNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5972979-A | Tricyclic spiro compounds as 5HT1D receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-10-26 | — | — | US | disclosed |
| US-5952325-A | Tricyclic spiro compounds process for their preparation and their use of 5HT1D receptor antagonists | SMITHKLINE BEECHAM PLC (GB) | 1999-09-14 | — | — | US | disclosed |
| WO-1996011934-A1 | TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-04-25 | — | — | WO | disclosed |