Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSPB1 | P04792 | 5/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | TLR4 | O00206 | 3/20 | 0.45 |
| ▸ | TLR2 | O60603 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16792668 | 1.00 | TDP1 (0.53) | TDP1ATMMEN1KMT2ATTR | |
| SCHEMBL17786752 | 0.91 | ATM (0.62) | TDP1ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL5857081 | 0.85 | TDP1 (0.51) | TDP1ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL10717379 | 0.84 | ALDH1A1 (0.55) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL4240218 | 0.82 | TDP1 (0.51) | TDP1ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL4231890 | 0.82 | TDP1 (0.51) | TDP1ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL11067702 | 0.81 | HTR6 (0.57) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL30317901 | 0.81 | TDP1 (0.50) | TDP1ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL29968335 | 0.80 | MEN1 (0.62) | TDP1ATMMEN1KMT2ATTR | |
| SCHEMBL2138411 | 0.80 | TDP1 (0.47) | TDP1MEN1KMT2ATTRALB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022266458-A1 | 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-12-22 | — | — | WO | disclosed |