Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.35 |
| ▸ | WEE1 | P30291 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29872293 | 0.80 | PBRM1 (0.46) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL26801767 | 0.77 | TSHR (0.40) | PARP1ALDH1A1MAPTTNKS2TDP1 | |
| SCHEMBL23985252 | 0.74 | PARP1 (0.39) | PARP1ALDH1A1MAPTTNKS2WEE1 | |
| SCHEMBL17797168 | 0.73 | HSD17B10 (0.49) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29583995 | 0.73 | HSD17B10 (0.49) | PARP1KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL30566045 | 0.72 | HTR2A (0.47) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL23985895 | 0.67 | PARP1 (0.38) | PARP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL4914480 | 0.67 | PARP1 (0.46) | PARP1 | |
| SCHEMBL30566051 | 0.64 | HSD17B10 (0.44) | PARP1KDM4EALDH1A1MAPTHPGD | |
| Water SCHEMBL503139 | 0.64 | PARP1 (0.37) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230353959-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| US-20230353959-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| EP-4143196-A1 | PI3K-a INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2023-03-08 | — | — | EP | disclosed |
| WO-2021222556-A1 | PI3K-α INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |