Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL9307089 | 0.85 | CTRB1 (0.49) | CTRB1ABCB1ALDH1A1 | |
| SCHEMBL1494027 | 0.80 | ALDH1A1 (0.44) | CTRB1CTSLCTSBCTSSCTSK | |
| SCHEMBL6255909 | 0.80 | SMN1; SMN2 (0.48) | CTRB1POLBLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL10688515 | 0.78 | CTRB1 (0.43) | CTRB1ABCB1ALDH1A1 | |
| SCHEMBL11512196 | 0.78 | CTRB1 (0.43) | CTRB1ABCB1ALDH1A1 | |
| SCHEMBL7357959 | 0.78 | CTRB1 (0.52) | CTRB1ABCB1TACR1CTSLCTSB | |
| SCHEMBL19007841 | 0.78 | NPC1 (0.47) | ABCB1POLBCTSLCTSBCTSS | |
| SCHEMBL23364188 | 0.77 | CTSK (0.43) | CTSLCTSSCTSKSLC1A3SLC1A1 | |
| SCHEMBL22804098 | 0.77 | ALDH1A1 (0.46) | CTRB1ABCB1CTSLCTSBCTSS | |
| SCHEMBL22804079 | 0.77 | ALDH1A1 (0.46) | CTRB1ABCB1CTSLCTSBCTSS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646573-A1 | Preparation of protected and unprotected guanidino-substituted carboxylic acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-05 | — | — | EP | disclosed |