Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11369147 | 0.85 | NPC1 (0.49) | ALDH1A1CYP1A2TNFRSF1ASMN1; SMN2MAPT | |
| SCHEMBL2040575 | 0.83 | CES2 (0.56) | ALDH1A1CYP1A2ATMTNFRSF1AKMT2A | |
| SCHEMBL9530939 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2ATMTNFRSF1AKMT2A | |
| SCHEMBL11202653 | 0.77 | HTT (0.46) | ALDH1A1MAPTHTTMAPK1TSHR | |
| SCHEMBL7017619 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL11376411 | 0.76 | CA12 (0.56) | ALDH1A1CYP1A2TNFRSF1AKMT2AMEN1 | |
| SCHEMBL7146375 | 0.75 | CYP1A2 (0.51) | CYP1A2ABCB1CYP2C19 | |
| Bromide SCHEMBL6282375 | 0.74 | CYP1A2 (0.50) | CYP1A2ABCB1CYP2C19 | |
| SCHEMBL627867 | 0.74 | CES2 (0.64) | ALDH1A1ATMSMN1; SMN2HTTMAPK1 | |
| SCHEMBL2040577 | 0.74 | LMNA (0.56) | ALDH1A1CYP1A2TNFRSF1AKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000014073-A1 | BENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND COMPOSITIONS | HOECHST MARION ROUSSEL (FR) | 2000-03-16 | — | — | WO | claimed |
| EP-0564924-B1 | 2-Oxoethyl derivatives as immunosuppressants | BAYER AG (US) | 1998-09-09 | — | — | EP | disclosed |
| US-5686424-A | FOR TREATING INFLAMMATION | MILES INC. (US) | 1997-11-11 | — | — | US | disclosed |
| EP-0564924-A2 | 2-Oxoethyl derivatives as immunosuppressants | Bayer Corporation (US) | 1993-10-13 | — | — | EP | disclosed |