Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9123084 | 0.67 | TSHR (0.52) | KDM4EGAAL3MBTL1CA12CA1 | |
| Hydrochloric Acid SCHEMBL9365820 | 0.66 | TSHR (0.50) | KDM4EGAAL3MBTL1CA12CA1 | |
| SCHEMBL1759252 | 0.65 | KDM4E (0.36) | TBXA2RKDM4EGAAL3MBTL1CA12 | |
| SCHEMBL18670700 | 0.62 | TSHR (0.50) | KDM4EGAAL3MBTL1CA12CA1 | |
| SCHEMBL18682217 | 0.62 | TSHR (0.50) | KDM4EGAAL3MBTL1CA12CA1 | |
| SCHEMBL11169652 | 0.58 | SLC6A4 (0.50) | KDM4EGAAL3MBTL1CA12CA1 | |
| Terephthalic Acid SCHEMBL28015538 | 0.57 | TSHR (0.86) | CA12CA1CA2CA4CA6 | |
| Terephthalic Acid SCHEMBL28310664 | 0.57 | TSHR (0.86) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22939005 | 0.56 | KDM4E (0.64) | KDM4EGAAL3MBTL1CA12CA1 | |
| Terephthalic Acid SCHEMBL175823 | 0.56 | TSHR (1.00) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1421086-A1 | 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY | Wyeth (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003008419-A1 | 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY | WYETH (US) | 2003-01-30 | — | — | WO | disclosed |