Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.77 |
| ▸ | CA3 | P07451 | 4/20 | 0.77 |
| ▸ | CA5A | P35218 | 4/20 | 0.77 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.64 |
| ▸ | CA12 | O43570 | 4/20 | 0.64 |
| ▸ | CA6 | P23280 | 4/20 | 0.64 |
| ▸ | CA7 | P43166 | 4/20 | 0.64 |
| ▸ | CA9 | Q16790 | 4/20 | 0.64 |
| ▸ | CA2 | P00918 | 4/20 | 0.64 |
| ▸ | CA4 | P22748 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10232648 | 1.00 | CA5B (0.77) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL1252712 | 0.89 | CA3 (0.86) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL10231803 | 0.89 | CA3 (0.86) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL67885 | 0.87 | ALDH1A1 (0.65) | CA5BCA3CA5ACA14CA12 | |
| Hydrochloric Acid SCHEMBL5407882 | 0.85 | ALDH1A1 (0.62) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL3149189 | 0.83 | ALDH1A1 (0.74) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL3302767 | 0.82 | CA5A (0.81) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL11981741 | 0.82 | CA5A (0.81) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL13861685 | 0.82 | ALDH1A1 (0.79) | CA5BCA3CA5ACA14CA12 | |
| SCHEMBL6450550 | 0.81 | CA3 (0.73) | CA5BCA3CA5ACA14CA12 |
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-6080785-A | REACTING A ALKYLNEDI-PRIMARY AMINE COMPOUND WITH A PROTECTIVE GROUP SUCH AS TRIFLUOROACETYL OR BENZYL GROUP REAGENT TO FORM AN INTERMEDIATE, REACTING THE INTERMEDIATE WITH HALOACETIC TERT-BYTYL ESTER TO FORM ESTER GROUPS, DEPROTECTING | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-06-27 | — | — | US | disclosed |
| EP-0871608-B1 | Monofunctionalised EDTA-, DTPA- and TTHA-Derivatives and their use for the preparation of a diagnoctic or therapeutic medicine | SCHERING AG (DE) | 2000-04-05 | — | — | EP | disclosed |
| EP-0871608-A1 | NOVEL MONOFUNCTIONALISED EDTA, DTPA AND TTHA DERIVATIVES AND THEIR USE IN MEDICAL DIAGNOSIS AND THERAPY | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997025305-A1 | NOVEL MONOFUNCTIONALISED EDTA, DTPA AND TTHA DERIVATIVES AND THEIR USE IN MEDICAL DIAGNOSIS AND THERAPY | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-07-17 | — | — | WO | disclosed |