Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 3/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | PRKCI | P41743 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCH | P24723 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11922543 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL17353594 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL19936087 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL12373452 | 0.77 | ESR1 (0.45) | MEN1KMT2AHRH4ESR1CCNE2 | |
| SCHEMBL14198659 | 0.76 | CYP2D6 (0.56) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL1831588 | 0.76 | CYP2D6 (0.56) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL25948006 | 0.74 | ALDH1A1 (0.45) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL17700184 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL15208762 | 0.72 | GRIN3B (0.45) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL5575974 | 0.72 | GRIN2D (0.51) | ALDH1A1HPGD |
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-1613629-A1 | SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES | Pfizer Products Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004085439-A1 | SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES | PFIZER PRODUCTS INC. (US) | 2004-10-07 | — | — | WO | disclosed |
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | disclosed |
| EP-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |
| WO-1993017017-A1 | [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-02 | — | — | WO | disclosed |