Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | ESR1 | P03372 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.59 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | STS | P08842 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7721712 | 1.00 | ALDH1A1 (0.68) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL9762364 | 1.00 | ALDH1A1 (0.68) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL3041650 | 1.00 | ALDH1A1 (0.68) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL9097123 | 0.98 | ALDH1A1 (0.65) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL9099239 | 0.94 | ESR1 (0.68) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL8382842 | 0.92 | TDP1 (0.58) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL20464827 | 0.92 | MAPT (0.58) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL11856354 | 0.89 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL11866812 | 0.89 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL11856349 | 0.89 | ALDH1A1 (0.69) | ALDH1A1NPC1MAPTRAB9ALMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7479504-B2 | Edg receptor agonists | MERCK & CO., INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1470137-A4 | EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | DOHERTY GEORGE A (US) | 2005-03-31 | — | — | US | disclosed |
| US-20050033055-A1 | Edg receptor agonists | MERCK SHARP & DOHME CORP. | 2005-02-10 | — | — | US | disclosed |
| EP-1470137-A1 | EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | DOHERTY GEORGE A (US) | 2004-03-25 | — | — | US | disclosed |
| WO-2003062252-A1 | EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | S1PR1, S1PR3, S1PR5 | ALDH1A1 2315/4885NPC1 812/4885MAPT 4428/4885 |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | S1PR1, S1PR3, S1PR2 | ALDH1A1 2305/4885NPC1 631/4885MAPT 4203/4885 |
| US-20050033055-A1 | Edg receptor agonists | EDNRA, EDNRB, GPR65 | ALDH1A1 874/4885NPC1 1366/4885MAPT 3208/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.