Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 5/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | OXTR | P30559 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1448243 | 1.00 | AVPR2 (0.46) | AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2 | |
| SCHEMBL1447375 | 0.98 | TSHR (0.48) | AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2 | |
| SCHEMBL483231 | 0.92 | SMN1; SMN2 (0.53) | TSHRSIGMAR1SMN1; SMN2NOTUMMEN1 | |
| SCHEMBL29612036 | 0.92 | SMN1; SMN2 (0.53) | TSHRSIGMAR1SMN1; SMN2NOTUMMEN1 | |
| Hydrochloric Acid SCHEMBL5428326 | 0.90 | SMN1; SMN2 (0.52) | TSHRSIGMAR1SMN1; SMN2NOTUMMEN1 | |
| SCHEMBL29625280 | 0.83 | MEN1 (0.54) | TSHRSIGMAR1SMN1; SMN2NOTUMMEN1 | |
| SCHEMBL112247 | 0.83 | MEN1 (0.54) | TSHRSIGMAR1SMN1; SMN2NOTUMMEN1 | |
| Hydrochloric Acid SCHEMBL1163794 | 0.81 | MEN1 (0.52) | TSHRSIGMAR1NOTUMMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27490360 | 0.81 | MEN1 (0.52) | TSHRSIGMAR1NOTUMMEN1ALDH1A1 | |
| SCHEMBL23601610 | 0.76 | MEN1 (0.50) | AVPR2AVPR1ATSHRSIGMAR1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5066649-A | 8,9-annelated-1,2,3,4-tetrahydro-β-carboline derivatives | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-11-19 | — | — | US | disclosed |
| EP-0380155-A1 | 8,9-Annelated-1,2,3,4-tetrahydro-beta-carboline derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-08-01 | — | — | EP | disclosed |
| EP-0320075-A1 | 8,9-Annelated-beta-carbolines and 8,9-annelated-3,4-dihydro-beta-carbolines | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1989-06-14 | — | — | EP | disclosed |