Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8136691 | 0.76 | CYP2A6 (0.61) | ALDH1A1CYP2A6HTR2AAPPMEN1 | |
| SCHEMBL3812563 | 0.76 | MAOA (0.58) | TSHRALDH1A1PYCR1LMNAUSP2 | |
| SCHEMBL16207396 | 0.70 | — | — | |
| SCHEMBL96978 | 0.70 | — | — | |
| SCHEMBL98189 | 0.67 | APP (0.41) | TSHRHTR2AAPPNPSR1CYP3A4 | |
| SCHEMBL7751231 | 0.65 | KCNH2 (0.59) | TSHRALDH1A1CYP2A6TAAR1MEN1 | |
| SCHEMBL10672679 | 0.65 | — | — | |
| SCHEMBL497768 | 0.65 | TSHR (0.48) | TSHRALDH1A1HTR2AHRH1APP | |
| SCHEMBL11611810 | 0.65 | — | — | |
| SCHEMBL15562777 | 0.65 | HTR2A (0.47) | TSHRCYP2A6HTR2ATAAR1APP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0159376-B1 | 1-(AMINOALKYLPHENYL AND AMINOALKYLBENZYL)-INDOLES AND INDOLINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-11-02 | — | — | EP | disclosed |