Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 4/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | CTSG | P08311 | 1/20 | 0.30 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL506540 | 0.80 | NR1H2 (0.33) | TSHRALDH1A1NR1H2NR1H3ESR1 | |
| SCHEMBL8056864 | 0.76 | MAPT (0.33) | MEN1KMT2ARIPK1RAB9ANPC1 | |
| SCHEMBL6675595 | 0.76 | CYP2C19 (0.40) | TSHRGAAALDH1A1ESR1ESR2 | |
| SCHEMBL15564536 | 0.76 | NR1H2 (0.33) | TSHRNR1H2NR1H3ESR1ESR2 | |
| SCHEMBL8701181 | 0.75 | CYP2C19 (0.38) | TSHRALDH1A1NR1H2NR1H3ESR1 | |
| SCHEMBL29967632 | 0.73 | ALDH1A1 (0.32) | ALDH1A1ALOX12 | |
| SCHEMBL8878189 | 0.73 | HDAC3 (0.43) | TSHRALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL14770816 | 0.73 | TP53 (0.35) | TSHRGAAMEN1ALDH1A1PKM | |
| SCHEMBL30821468 | 0.72 | KCNH3 (0.36) | TSHRMEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL2617396 | 0.71 | TAAR1 (0.32) | ALDH1A1RIPK1ESR1ESR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6979460-B1 | Vinyl ether lipids with cleavable hydrophlic headgroups | PURDUE RESEARCH FOUNDATION (US) | 2005-12-27 | — | — | US | disclosed |
| EP-1202714-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | Purdue Research Foundation (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001005375-A1 | VINYL ETHER LIPIDS WITH CLEAVABLE HYDROPHILIC HEADGROUPS | PURDUE RESEARCH FOUNDATION (US) | 2001-01-25 | — | — | WO | disclosed |
| US-6110923-A | Method for treating cancer using novel substituted purinyl derivatives with immunomodulating activity | BIOCHEM PHARMA INC. (CA) | 2000-08-29 | — | — | US | disclosed |
| US-5994361-A | ANTITUMOR, ANTICANCER AGENT | BIOCHEM PHARMA (CA) | 1999-11-30 | — | — | US | disclosed |
| EP-0766683-A1 | NOVEL SUBSTITUTED PURINYL DERIVATIVES WITH IMMUNOMODULATING ACTIVITY | BIOCHEM PHARMA INC (CA) | 1997-04-09 | — | — | EP | disclosed |
| WO-1995035297-A1 | NOVEL SUBSTITUTED PURINYL DERIVATIVES WITH IMMUNOMODULATING ACTIVITY | BIOCHEM PHARMA INC. (CA) | 1995-12-28 | — | — | WO | disclosed |