Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 5/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.63 |
| ▸ | HTR3B | O95264 | 1/20 | 0.63 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.63 |
| ▸ | HTR3A | P46098 | 1/20 | 0.63 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.63 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30277734 | 0.92 | ALDH1A1 (0.58) | ALDH1A1PKMMAPTRAB9AKMT2A | |
| SCHEMBL29656856 | 0.91 | HTR3E (0.73) | ALDH1A1MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL28599511 | 0.91 | HTR3E (0.73) | ALDH1A1MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL19212406 | 0.84 | ADRB1 (0.69) | ALDH1A1MAPTRAB9AKMT2AADRB1 | |
| SCHEMBL14362730 | 0.83 | HTR3E (0.63) | ALDH1A1MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL424503 | 0.83 | DRD2 (0.66) | ALDH1A1MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL11396473 | 0.83 | MAPT (0.65) | ALDH1A1PKMMAPTRAB9AKMT2A | |
| SCHEMBL11923385 | 0.83 | SIGMAR1 (0.79) | ALDH1A1PKMMAPTKMT2ASIGMAR1 | |
| SCHEMBL2464580 | 0.83 | ALDH1A1 (0.66) | ALDH1A1MAPTRAB9AKMT2ADRD2 | |
| SCHEMBL2925759 | 0.83 | HTR3E (0.68) | ALDH1A1MAPTRAB9AKMT2AHTR3E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2721013-B1 | PROCESS FOR THE PREPARATION OF A CHIRAL COMPOUND | SANDOZ AG (CH) | 2018-02-21 | — | — | EP | disclosed |
| EP-1068200-B1 | 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 2005-02-16 | — | — | EP | disclosed |
| US-6387906-B1 | DERMATOPHYTES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-05-14 | — | — | US | disclosed |
| EP-1068200-A1 | 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999002523-A1 | 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-01-21 | — | — | WO | disclosed |