Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.53 |
| ▸ | CHRNA5 | P30532 | 5/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | TP53 | P04637 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1423161 | 0.90 | CHRNB2 (0.61) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| Trifluoroacetic Acid SCHEMBL1422776 | 0.79 | NPC1 (0.64) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL1422804 | 0.79 | CHRNB2 (0.61) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL3676739 | 0.76 | MAPT (0.49) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL1422710 | 0.76 | HDAC4 (0.66) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL1423560 | 0.75 | NPC1 (0.58) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL1423437 | 0.74 | NPC1 (0.57) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| Trifluoroacetic Acid SCHEMBL27767571 | 0.73 | SMN1; SMN2 (0.55) | S1PR1CHRNB2CHRNA5CHRNA4NPC1 | |
| SCHEMBL30832786 | 0.73 | PDE3B (0.65) | ALDH1A1KMT2A | |
| SCHEMBL1884345 | 0.73 | PDE3B (0.65) | ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9040568-B2 | Pharmaceutical compositions for the treatment of pain | ABBVIE INC. (US) | 2015-05-26 | — | — | US | disclosed |
| US-8486979-B2 | Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders | ABBVIE INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20100305086-A1 | Pharmaceutical Compositions for the Treatment of Pain | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | US | disclosed |
| US-20080269236-A1 | Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2008-10-30 | — | — | US | 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 (2 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-20100305086-A1 | Pharmaceutical Compositions for the Treatment of Pain | CHRNA1, CHRNG, CHRNA4 | S1PR1 1207/4885CHRNB2 14/4885CHRNA5 7/4885 |
| US-20080269236-A1 | Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof | OXA1L, CYP11B2, CYP1B1 | S1PR1 3160/4885CHRNB2 3741/4885CHRNA5 4256/4885 |
“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.