Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA6 | P23280 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA4 | P22748 | 3/20 | 0.59 |
| ▸ | CA5A | P35218 | 3/20 | 0.59 |
| ▸ | F13A1 | P00488 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | THPO | P40225 | 2/20 | 0.59 |
| ▸ | CASP2 | P42575 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177482 | 0.93 | CA12 (0.55) | CA12CA6CA7CA9CA14 | |
| SCHEMBL30867218 | 0.91 | CA12 (0.52) | CA12CA6CA7CA9CA14 | |
| SCHEMBL23924138 | 0.88 | CA12 (0.55) | CA12CA6CA7CA9CA14 | |
| SCHEMBL6723786 | 0.88 | CA12 (0.55) | CA12CA6CA7CA9CA14 | |
| SCHEMBL4562238 | 0.88 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| SCHEMBL18316003 | 0.86 | CASP2 (0.59) | CA12CA6CA7CA9CA14 | |
| SCHEMBL4542619 | 0.86 | CA12 (0.57) | CA12CA6CA7CA9CA14 | |
| SCHEMBL117478 | 0.84 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| SCHEMBL174573 | 0.83 | CA12 (0.58) | CA12CA6CA7CA9CA14 | |
| SCHEMBL21045082 | 0.82 | CASP2 (0.59) | CA12CA6CA7CA9CA14 |
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-118302243-A | The amine being attached to the metal-organic skeleton | 埃克森美孚技术与工程公司 | 2024-07-05 | — | — | CN | disclosed |
| US-5795870-A | STEROID RING WITH AMINE GROUP SIDE CHAINS | TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-08-18 | — | — | US | disclosed |