Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539403 | 0.86 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2AEPHX2 | |
| SCHEMBL28530396 | 0.86 | PTPN1 (0.50) | PTPN1CXCR4NPC1RAB9AMEN1 | |
| SCHEMBL28539545 | 0.84 | CXCR4 (0.47) | CXCR4MEN1KMT2AHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL28536803 | 0.82 | PTPN1 (0.42) | PTPN1CXCR4CA12CA1CA2 | |
| SCHEMBL28536922 | 0.80 | NPC1 (0.46) | PTPN1CXCR4NPC1RAB9AMEN1 | |
| SCHEMBL28541709 | 0.78 | ALDH1A1 (0.47) | MEN1KMT2AHPGDLMNASMN1; SMN2 | |
| SCHEMBL28551730 | 0.78 | OPRM1 (0.46) | PTPN1CXCR4NPC1RAB9AMEN1 | |
| SCHEMBL29450344 | 0.74 | CYP2C19 (0.45) | PTPN1CXCR4NPC1RAB9AMEN1 | |
| SCHEMBL28538471 | 0.73 | CXCR4 (0.48) | CXCR4NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28535807 | 0.72 | NPC1 (0.46) | PTPN1NPC1RAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574089-B | Photo-induced multifunctional crosslinking agent, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-112574089-A | Photoinduced multifunctional cross-linking agent, and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-03-30 | — | — | CN | disclosed |