Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3785537 | 1.00 | NPC1 (0.50) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL116618 | 0.85 | CA1 (0.61) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL30725839 | 0.85 | CA1 (0.61) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL2860521 | 0.83 | MAPT (0.42) | NPC1ALDH1A1HDAC1HDAC6POLB | |
| SCHEMBL8966015 | 0.82 | NPC1 (0.54) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL2306460 | 0.82 | KDR (0.49) | NPC1ALDH1A1MAPTRAB9APKM | |
| SCHEMBL20076641 | 0.81 | MEN1 (0.34) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL1708819 | 0.81 | HDAC1 (0.62) | NPC1CA1CA2CA9ALDH1A1 | |
| SCHEMBL30748254 | 0.81 | SMN1; SMN2 (0.55) | CA1CA2CA9ALDH1A1HDAC1 | |
| SCHEMBL8955980 | 0.81 | SMN1; SMN2 (0.55) | CA1CA2CA9ALDH1A1HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118119600-A | SOS1 inhibitors and uses thereof | 治纳辅医药科技有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-118044519-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-110072842-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-02-02 | — | — | CN | disclosed |
| WO-2022096679-A1 | PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER | EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) | 2022-05-12 | — | — | WO | disclosed |