Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12955636 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL6399313 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL6399307 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL23790917 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL10563265 | 1.00 | — | — | |
| SCHEMBL24040789 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL1965488 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1929987 | 0.95 | — | — | |
| SCHEMBL3615821 | 0.90 | — | — | |
| SCHEMBL14307127 | 0.81 | SMN1; SMN2 (0.46) | ALDH1A1CXCR3SMN1; SMN2ALOX15USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0008763-B1 | AMINOMETHYL-CYCLODODECANES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTICORROSIVES | BAYER AG (DE) | 1981-04-01 | — | — | EP | claimed |
| EP-0008763-A1 | Aminomethyl-cyclododecanes, a process for their preparation and their use as anticorrosives | BAYER AG (DE) | 1980-03-19 | — | — | EP | claimed |
| EP-0008763-B1 | AMINOMETHYL-CYCLODODECANES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTICORROSIVES | BAYER AG (DE) | 1981-04-01 | — | — | EP | disclosed |
| EP-0008763-A1 | Aminomethyl-cyclododecanes, a process for their preparation and their use as anticorrosives | BAYER AG (DE) | 1980-03-19 | — | — | EP | disclosed |