Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | XBP1 | P17861 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 9/20 | 0.54 |
| ▸ | CNR2 | P34972 | 2/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.52 |
| ▸ | TUBB | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.52 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.52 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.52 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.52 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.52 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.52 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15649200 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL12496609 | 0.86 | ALDH1A1 (0.66) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL3954004 | 0.85 | ALDH1A1 (0.68) | ALDH1A1CYP1A2HPGDTUBB4ATUBB | |
| SCHEMBL4614808 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL7838931 | 0.83 | ALOX15 (0.46) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL9189433 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL12326581 | 0.83 | HTR6 (0.67) | ALDH1A1HPGDTUBB4ATUBBTUBA3C | |
| SCHEMBL15622584 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL21264669 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL15622511 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015044928-A1 | SUBSTITUTED INDOLES AND THEIR USE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | STELLENBOSCH UNIVERSITY (ZA) | 2015-04-02 | — | — | WO | disclosed |
| EP-1147110-A1 | PYRAZINO(AZA)INDOLE DERIVATIVES | VERNALIS RESEARCH LIMITED (GB) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000044753-A1 | PIRAZINO(AZA)INDOLE DERIVATIVES | VERNALIS RESEARCH LIMITED (GB) | 2000-08-03 | — | — | WO | disclosed |