Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.44 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.44 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305277 | 0.89 | CA2 (0.44) | CA2PSMB5PSMB1PSMB2CYP3A4 | |
| SCHEMBL7306135 | 0.89 | CA2 (0.47) | CA2PSMB5PSMB1PSMB2KMT2A | |
| SCHEMBL7307100 | 0.88 | CA2 (0.61) | CA2PSMB5PSMB1PSMB2TSHR | |
| SCHEMBL7305087 | 0.84 | CTSD (0.48) | CA2PSMB5PSMB1PSMB2CYP2D6 | |
| SCHEMBL7297565 | 0.81 | CA2 (0.39) | CA2ALDH1A1KMT2ACYP3A4KCNK3 | |
| SCHEMBL7306035 | 0.80 | CA2 (0.60) | CA2TSHRCYP1A2CYP2D6MAPT | |
| SCHEMBL27373122 | 0.79 | CA2 (0.54) | CA2TSHRCYP1A2CYP2D6MAPT | |
| SCHEMBL7299441 | 0.79 | CA2 (0.54) | CA2TSHRCYP1A2CYP2D6MAPT | |
| SCHEMBL7307958 | 0.79 | CA2 (0.50) | CA2PSMB5TSHRCYP3A4REN | |
| SCHEMBL7303892 | 0.78 | CTSD (0.47) | PSMB5PSMB1PSMB2CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |