Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PAM | P19021 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9798232 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL3657712 | 0.78 | KCNA3 (0.38) | IDO1RELA | |
| SCHEMBL10385527 | 0.76 | MAOB (0.50) | ALDH1A1MAOBIDO1LMNARELA | |
| SCHEMBL93706 | 0.75 | RELA (0.47) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL2769032 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL9217606 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL790911 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL29135403 | 0.75 | IDO1 (0.36) | ALDH1A1MAOBTSHRCYP2A6IDO1 | |
| SCHEMBL8697137 | 0.74 | KMT2A (0.32) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL425560 | 0.73 | TSHR (0.50) | ALDH1A1MAOBTSHRIDO1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |
| EP-0929535-A4 | PROCESS AND NOVEL INTERMEDIATES | LILLY CO ELI (US) | 2001-05-23 | — | — | EP | disclosed |
| EP-0792875-B1 | Cryptophycin derivatives and their use as anti-microtubule agents | LILLY CO ELI (US) | 2001-05-09 | — | — | EP | disclosed |
| EP-0929535-A1 | PROCESS AND NOVEL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998009955-A1 | PROCESS AND NOVEL INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1998-03-12 | — | — | WO | disclosed |
| EP-0792875-A1 | Cryptophycin derivatives and their use as anti-microtubule agents | ELI LILLY AND COMPANY (US) | 1997-09-03 | — | — | EP | disclosed |
| EP-0735819-A4 | NEW CRYPTOPHYCINS | UNIV HAWAII (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0735819-A1 | NEW CRYPTOPHYCINS | UNIVERSITY OF HAWAII (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017093-A1 | NEW CRYPTOPHYCINS | UNIVERSITY OF HAWAII (US) | 1995-06-29 | — | — | WO | disclosed |
| US-4678792-A | ANTITHROMBIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-07-07 | — | — | US | disclosed |
| EP-0154842-A2 | Medicament containing quaternary 3,4-dihydroisoquinoline salts | Dr. Karl Thomae GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |