Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8184584 | 0.85 | CA1 (0.42) | CA1CA2MEN1KMT2A | |
| SCHEMBL7667410 | 0.85 | CA12 (0.35) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7669753 | 0.82 | CA12 (0.33) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7664608 | 0.82 | CA12 (0.35) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8185842 | 0.80 | CA1 (0.39) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7667780 | 0.80 | HTT (0.32) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7667556 | 0.80 | CA12 (0.32) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7673071 | 0.80 | CA12 (0.38) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7669190 | 0.78 | MAPT (0.34) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7669149 | 0.76 | LMNA (0.31) | ALDH1A1ALDH3A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376540-B1 | PREVENT NEURODEGENERATIVE DISEASE | CENTAUR PHARMACEUTICALS, INC. | 2002-04-23 | — | — | US | disclosed |
| US-6051571-A | NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-04-18 | — | — | US | disclosed |
| US-6040444-A | Process for preparing furan nitrone compounds | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-03-21 | — | — | US | disclosed |
| US-5942507-A | REAGANTS FOR DETECTION FREE RADICALS | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-08-24 | — | — | US | disclosed |