Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MMP8 | P22894 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL27814992 | 0.85 | LMNA (0.54) | LMNAALDH1A1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL851200 | 0.81 | — | — | |
| Acetic Acid Propyl Ester SCHEMBL1780772 | 0.80 | LMNA (0.56) | LMNAALDH1A1SMN1; SMN2GAAHPGD | |
| Butane SCHEMBL28032310 | 0.79 | KDM4E (0.48) | ALDH1A1SMN1; SMN2MAPK1HPGDMEN1 | |
| Acetic Acid Propyl Ester SCHEMBL27540158 | 0.79 | LMNA (0.55) | LMNAALDH1A1SMN1; SMN2GAAHPGD | |
| Toluene SCHEMBL11845704 | 0.76 | LMNA (0.51) | LMNAALDH1A1SMN1; SMN2GAAHPGD | |
| SCHEMBL3229905 | 0.75 | HPGD (0.67) | LMNAALDH1A1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL4922122 | 0.75 | LMNA (0.50) | LMNAALDH1A1POLBSMN1; SMN2GAA | |
| Toluene SCHEMBL27508716 | 0.75 | THRB (0.57) | LMNAALDH1A1SMN1; SMN2GAAHPGD | |
| SCHEMBL10192026 | 0.74 | SMN1; SMN2 (0.69) | LMNAALDH1A1POLBSMN1; SMN2MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100475819-C | Pseudopolymorphic forms of a HIV protease inhibitor | TIBOTEC PHARM LTD (IE) | 2009-04-08 | — | — | CN | claimed |
| CN-1898248-B | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD | 2011-08-17 | — | — | CN | disclosed |
| CN-102131815-A | Process for the preparation of (3R,3AS,6AR) -hexahydrofuro [2,3-B ] furan-3-yl (1S,2R) -3- [ [ (4-aminophenyl) sulfonyl ] (isobutyl) amino ] -1-benzyl-2-hydroxypropyl carbamate | TIBOTEC PHARM LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-100475819-C | Pseudopolymorphic forms of a HIV protease inhibitor | TIBOTEC PHARM LTD (IE) | 2009-04-08 | — | — | CN | disclosed |
| CN-1898248-A | Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate | TIBOTEC PHARM LTD (IE) | 2007-01-17 | — | — | CN | disclosed |
| CN-1668623-A | Pseudopolymorphic forms of a HIV protease inhibitor | TIBOTEC PHARM LTD (IE) | 2005-09-14 | — | — | CN | disclosed |