Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SCN1A | P35498 | 3/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28301392 | 0.85 | TSHR (0.49) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL14510428 | 0.84 | PIN1 (0.50) | TSHRALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9516972 | 0.84 | PIN1 (0.50) | TSHRALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL7357017 | 0.83 | TSHR (0.50) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL5161453 | 0.83 | MEN1 (0.64) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL27340330 | 0.83 | TSHR (0.53) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL28485015 | 0.81 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL28137293 | 0.81 | TSHR (0.51) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL8168380 | 0.81 | KCNN4 (0.55) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL28558105 | 0.81 | TSHR (0.54) | TSHRTDP1L3MBTL1ALDH1A1HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0405537-B1 | N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives | WARNER LAMBERT CO (US) | 2004-09-08 | — | — | EP | disclosed |
| US-5631281-A | COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES | WARNER-LAMBERT COMPANY (US) | 1997-05-20 | — | — | US | disclosed |
| US-5622983-A | ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS | WARNER-LAMBERT COMPANY (US) | 1997-04-22 | — | — | US | disclosed |
| US-5580896-A | Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives | WARNER-LAMBERT COMPANY (US) | 1996-12-03 | — | — | US | disclosed |
| EP-0479910-A1 | N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1992-04-15 | — | — | EP | disclosed |
| WO-1991000274-A1 | N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1991-01-10 | — | — | WO | disclosed |
| EP-0405537-A1 | N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives | WARNER-LAMBERT COMPANY (US) | 1991-01-02 | — | — | EP | disclosed |