Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9085384 | 0.84 | POLB (0.47) | CASRALDH1A1TSHRNR1I3LMNA | |
| SCHEMBL6956988 | 0.80 | ACHE (0.47) | SMN1; SMN2ALDH1A1POLBHTTBCHE | |
| SCHEMBL3504376 | 0.77 | GRM4 (0.41) | PRKDCALDH1A1TSHRLMNAKCNH2 | |
| SCHEMBL3505067 | 0.76 | ACHE (0.40) | ALDH1A1LMNAHTR1AKCNH2GAA | |
| SCHEMBL6956977 | 0.75 | ACHE (0.39) | CASRSMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL8947062 | 0.75 | ACHE (0.42) | ALDH1A1LMNAGAABCHEACHE | |
| SCHEMBL4103035 | 0.75 | NPC1 (0.53) | MAPTSMN1; SMN2TP53ALDH1A1TSHR | |
| SCHEMBL3505352 | 0.74 | LMNA (0.42) | TP53ALDH1A1LMNAMEN1GAA | |
| SCHEMBL6951008 | 0.74 | HRH3 (0.41) | ALDH1A1KCNH2MEN1KMT2ABCHE | |
| SCHEMBL3505169 | 0.74 | CASR (0.42) | CASRALDH1A1KCNH2 |
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-0669920-B1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2003-02-12 | — | — | EP | disclosed |
| US-5494908-A | ANTIDEPRESSANT | HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) | 1996-02-27 | — | — | US | disclosed |