Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB2 | Q9UBS0 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7217542 | 0.85 | ADORA2A (0.49) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL5949601 | 0.82 | KDM4E (0.42) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL23724046 | 0.78 | RPS6KB2 (0.68) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL8790107 | 0.76 | CYP1A2 (0.42) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL25415762 | 0.76 | DHFR (0.49) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL820251 | 0.75 | RPS6KB2 (0.50) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL28454459 | 0.75 | RPS6KB2 (0.50) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL24353129 | 0.75 | DHFR (0.47) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL21066891 | 0.75 | DHFR (0.47) | RPS6KB2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL41299 | 0.75 | KDM4E (0.43) | RPS6KB2KDM4EMEN1KMT2AHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173766-B2 | Polymers derived from bis(thienocyclopenta) benzothiadiazole and their use as organic semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-05-08 | — | — | US | disclosed |
| US-20110178236-A1 | POLYMERS DERIVED FROM BIS(THIENOCYCLOPENTA) BENZOTHIADIAZOLE AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-07-21 | — | — | US | disclosed |