Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9083531 | 1.00 | GAA (0.36) | GAAHTTTSHRCES2CES1 | |
| SCHEMBL2506530 | 0.70 | AKR1C1 (0.62) | GAAHTTLMNATP53MAPK1 | |
| SCHEMBL6863800 | 0.70 | AKR1C1 (0.62) | GAAHTTLMNATP53MAPK1 | |
| SCHEMBL28485454 | 0.70 | AKR1C4 (0.38) | TSHRLMNAMAPK1MEN1KMT2A | |
| SCHEMBL5046762 | 0.69 | GAA (0.32) | GAA | |
| SCHEMBL14689473 | 0.67 | CES2 (0.30) | CES2CES1 | |
| SCHEMBL164579 | 0.67 | AKR1C1 (0.59) | HTTTSHRCES2CES1LMNA | |
| SCHEMBL164580 | 0.67 | AKR1C1 (0.59) | HTTTSHRCES2CES1LMNA | |
| SCHEMBL3310046 | 0.67 | CES2 (0.33) | GAAHTTCES2CES1 | |
| SCHEMBL3310048 | 0.67 | CES2 (0.33) | GAAHTTCES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523306-A | TRYPTOPHAN DERIVATIVES FOR BLOCKING DRUG OR ALCOHOL WITHDRAWAL RESPONSE IN MAMMALS; ANTIPSYCHOTIC, ANTIULCER AGENTS; APPETITE SUPPRESSANTS | WARNER-LAMBERT COMPANY (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0546123-A4 | — | — | 1994-04-27 | — | — | EP | disclosed |
| EP-0546123-A1 | ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1993-06-16 | — | — | EP | disclosed |
| WO-1992004322-A1 | ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |