Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA3 | P07451 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.56 |
| ▸ | CA6 | P23280 | 2/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10620310 | 0.85 | CA1 (0.56) | CA1CA2CA12CA3CA4 | |
| SCHEMBL29253952 | 0.81 | APOBEC3G (0.47) | CA12CA9ALDH1A1KDM4EHTR2A | |
| SCHEMBL10448943 | 0.80 | ALDH1A1 (0.50) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10449075 | 0.80 | LMNA (0.50) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10449185 | 0.80 | LMNA (0.50) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10449155 | 0.78 | TSHR (0.49) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10871212 | 0.78 | TSHR (0.49) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10448907 | 0.76 | ALDH1A1 (0.52) | CA1CA2CA9ALDH1A1KDM4E | |
| SCHEMBL10448918 | 0.76 | ALDH1A1 (0.52) | CA1CA2CA9ALDH1A1KDM4E | |
| SCHEMBL196979 | 0.76 | CA12 (0.69) | CA1CA2CA12CA3CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4684747-A | ANTITUMOR, ALKYLATING AGENTS | YALE UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |