Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 6/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16333610 | 0.93 | CTSK (0.44) | ACACBABCB1CTSKCTSLALDH1A1 | |
| SCHEMBL3431290 | 0.88 | ABCB1 (0.52) | ACACBABCB1CTSKCTSLITGB3 | |
| SCHEMBL8814267 | 0.86 | LDHA (0.49) | ACACBFPR2 | |
| SCHEMBL8814268 | 0.86 | LDHA (0.49) | ACACBFPR2 | |
| SCHEMBL29430953 | 0.82 | CTSL (0.58) | CTSKCTSLITGB3ITGA2BCTSS | |
| SCHEMBL18862971 | 0.81 | ALDH1A1 (0.52) | CTSLALDH1A1PKMSMN1; SMN2CTSS | |
| SCHEMBL6927025 | 0.81 | ALDH1A1 (0.52) | CTSLALDH1A1PKMSMN1; SMN2CTSS | |
| SCHEMBL10538691 | 0.81 | ALDH1A1 (0.52) | CTSLALDH1A1PKMSMN1; SMN2CTSS | |
| SCHEMBL31098043 | 0.80 | NOS2 (0.46) | ACACBALDH1A1PPARG | |
| SCHEMBL7322984 | 0.80 | PPARG (0.55) | PPARGPPARA |
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-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5620987-A | Amino acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |