Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTRB1 | P17538 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28168065 | 0.89 | CTSL (0.53) | CTSLCTRB1TACR1PIN1LMNA | |
| SCHEMBL12115589 | 0.86 | ACACB (0.60) | CTSLCTRB1TACR1PIN1LMNA | |
| SCHEMBL7693886 | 0.83 | ATM (0.65) | CTSLCTRB1CTSSCTSKCYP3A4 | |
| SCHEMBL18364335 | 0.83 | CTSL (0.48) | CTSLCTRB1TACR1PIN1LMNA | |
| SCHEMBL18364431 | 0.83 | CTSL (0.48) | CTSLCTRB1TACR1PIN1LMNA | |
| SCHEMBL27182723 | 0.81 | CTSL (0.46) | CTSLCYP3A4MAPK1 | |
| SCHEMBL6269412 | 0.81 | PIN1 (0.75) | CTRB1PIN1 | |
| SCHEMBL13192208 | 0.80 | ALDH1A1 (0.50) | CTSLALDH1A1LMNAMAPK1RAB9A | |
| SCHEMBL2089507 | 0.80 | MAPK1 (0.69) | CTRB1LMNACTSSCTSKPAM | |
| SCHEMBL17305286 | 0.80 | HPGD (0.58) | CTRB1LMNACTSSCTSKPAM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012136121-A1 | AMINO PHENYLPROPANOID COMPOUND AND USE THEREOF FOR PREPARING IMMUNOSUPPRESSANT | 中国人民解放军军事医学科学院毒物药物研究所 (CN) | 2012-10-11 | — | — | WO | disclosed |