Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9751233 | 0.81 | CA1 (0.43) | CA1CA2CYP1A2CYP2C19LMNA | |
| SCHEMBL9751238 | 0.77 | MIF (0.39) | CA1CA2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9751232 | 0.74 | NPC1 (0.48) | CA1CA2CYP1A2CYP2C19LMNA | |
| SCHEMBL14959800 | 0.74 | CA12 (0.52) | CA12CA9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9751322 | 0.72 | SMN1; SMN2 (0.39) | LMNAALDH1A1KDM4EPOLBGAA | |
| SCHEMBL12601116 | 0.71 | CA12 (0.50) | CA12CA9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6157429 | 0.71 | CA12 (0.43) | CA12CA9CYP1A2LMNAALDH1A1 | |
| SCHEMBL6022057 | 0.71 | CA12 (0.55) | CA12CA9CYP1A2LMNAALDH1A1 | |
| SCHEMBL13364004 | 0.69 | CA12 (0.48) | CA12CA9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL13364007 | 0.69 | CYP1A2 (0.48) | CA12CA9CYP1A2CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5006515-A | Immunology disorders, antitumor agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |