Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.39 |
| ▸ | TUBB | P07437 | 4/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL374491 | 0.91 | CYP3A4 (0.47) | CYP1A2CYP1A1CYP1B1KMT2AMEN1 | |
| SCHEMBL135276 | 0.87 | ALDH1A1 (0.50) | CYP1A2CYP1A1CYP1B1KMT2AMEN1 | |
| SCHEMBL3896348 | 0.83 | ALDH1A1 (0.43) | CYP1A1CYP1B1KMT2AMEN1CYP3A4 | |
| SCHEMBL21264352 | 0.82 | CYP3A4 (0.43) | CYP1A2CYP1A1CYP1B1KMT2AMEN1 | |
| SCHEMBL30822599 | 0.79 | TDP1 (0.46) | CYP1A2KMT2AMEN1CYP3A4ALDH1A1 | |
| SCHEMBL27189444 | 0.79 | TDP1 (0.46) | CYP1A2KMT2AMEN1CYP3A4ALDH1A1 | |
| SCHEMBL14014007 | 0.78 | PTGS2 (0.43) | CYP1A2KMT2AMEN1CYP3A4ALDH1A1 | |
| SCHEMBL17874339 | 0.76 | SMN1; SMN2 (0.47) | KMT2AMEN1CYP3A4ALDH1A1HPGD | |
| SCHEMBL31711476 | 0.76 | CYP3A4 (0.41) | CYP3A4ALDH1A1HPGDTDP1ACHE | |
| SCHEMBL22824635 | 0.76 | CYP3A4 (0.38) | CYP1A2CYP1A1CYP1B1CYP3A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |