Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16542026 | 0.88 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| SCHEMBL12474539 | 0.88 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| SCHEMBL17527050 | 0.86 | NR4A1 (0.42) | ALDH1A1CYP3A4MAOBTDP1TSHR | |
| SCHEMBL17527030 | 0.86 | TSHR (0.44) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| SCHEMBL16542005 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| SCHEMBL16542007 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| SCHEMBL12474471 | 0.82 | LTA4H (0.57) | ALDH1A1CYP3A4MAOBTDP1TSHR | |
| SCHEMBL16542009 | 0.82 | MAOB (0.43) | MAOBTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL12474487 | 0.81 | TUBB4A (0.55) | ALDH1A1CYP3A4MAOBTUBB4ATUBB | |
| Hydrazine SCHEMBL10758378 | 0.80 | MAOB (0.59) | CYP3A4MAOBTUBB1TDP1ESR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2536726-B1 | DIARYL ETHER LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2015-03-04 | — | — | EP | disclosed |