Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9422167 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRMAPK1MAPT | |
| SCHEMBL19765250 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRLMNAMAPK1 | |
| SCHEMBL11741012 | 0.73 | CYP2A6 (0.34) | MAPT | |
| SCHEMBL4633923 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL10923361 | 0.72 | HASPIN (0.47) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL7784706 | 0.71 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRHSD17B10TNF | |
| SCHEMBL11160686 | 0.71 | ALDH1A1 (0.71) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL29735720 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL18434559 | 0.70 | CCR1 (0.52) | ALDH1A1TDP1TSHRLMNAHTT | |
| SCHEMBL7514813 | 0.70 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRMAPK1HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0074741-B1 | METHOD OF PRODUCING ALPHA2 ANTAGONISM | SMITHKLINE BECKMAN CORPORATION (US) | 1986-11-12 | — | — | EP | disclosed |
| EP-0023761-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1984-03-07 | — | — | EP | disclosed |
| EP-0074741-A1 | Method of producing alpha2 antagonism | SMITHKLINE BECKMAN CORPORATION (US) | 1983-03-23 | — | — | EP | disclosed |
| US-4352809-A | THIADIAZOLO- AND OXADIAZOLOTETRAHYDROISOQUINOLINES, ANTIDEPRESSANTS | SMITHKLINE CORPORATION (US) | 1982-10-05 | — | — | US | disclosed |
| US-4258049-A | Inhibiting phenylethanolamine N-methyltransferase with thiadiazolo and oxadiazolotetrahydroisoquinolines | SMITHKLINE CORPORATION (US) | 1981-03-24 | — | — | US | disclosed |
| EP-0023761-A1 | Tetrahydroisoquinoline derivatives, process for preparing them and compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1981-02-11 | — | — | EP | disclosed |