Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20354564 | 0.83 | MAPT (0.53) | MEN1KMT2AMAPTNPC1LMNA | |
| SCHEMBL25675659 | 0.80 | HSD11B1 (0.46) | MAPTNPC1LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL17665167 | 0.78 | ADRB1 (0.52) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL26406889 | 0.78 | ADRB1 (0.52) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL21526576 | 0.78 | SIRT6 (0.61) | ADRB1MEN1KMT2AMAPTLMNA | |
| SCHEMBL7105773 | 0.76 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL3414344 | 0.76 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL10063748 | 0.76 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL12082315 | 0.76 | ADRB1 (0.53) | ADRB1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL26417903 | 0.76 | ADRB1 (0.48) | ADRB1MEN1KMT2AMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024107393-A1 | TRICYCLIC COMPOUNDS | SCHRÖDINGER, INC. (US) | 2024-05-23 | — | — | WO | disclosed |
| WO-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |