Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | GOT1 | P17174 | 2/20 | 0.32 |
| ▸ | MPO | P05164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2013659 | 0.80 | GPR3 (0.44) | GPR3TGFBR1MAPTHTTKDM4E | |
| SCHEMBL2009242 | 0.80 | GPR3 (0.44) | GPR3TGFBR1MAPTLMNAHTT | |
| SCHEMBL22124911 | 0.77 | GPR3 (0.41) | GPR3TGFBR1LMNAHTTKDM4E | |
| SCHEMBL13765861 | 0.74 | GPR3 (0.39) | GPR3TGFBR1MAPTLMNAHTT | |
| SCHEMBL736202 | 0.69 | NCF1 (0.50) | GPR3MAPTLMNAHTTKDM4E | |
| SCHEMBL30098629 | 0.69 | NCF1 (0.50) | GPR3MAPTLMNAHTTKDM4E | |
| SCHEMBL436407 | 0.68 | GPR3 (0.50) | GPR3TGFBR1MAPTKDM4ECYP1A2 | |
| SCHEMBL276531 | 0.68 | GPR3 (0.50) | GPR3TGFBR1MAPTLMNAHTT | |
| SCHEMBL21532813 | 0.68 | GPR3 (0.50) | GPR3TGFBR1MAPTLMNAHTT | |
| SCHEMBL3883304 | 0.68 | GPR3 (0.50) | GPR3TGFBR1MAPTLMNAHTT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-17 | — | — | US | disclosed |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-17 | — | — | US | disclosed |
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. | 2009-07-09 | — | — | US | disclosed |
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. | 2009-07-09 | — | — | US | disclosed |
| EP-2023933-A2 | ACETYLENIC HETEROARYL COMPOUNDS | ARIAD PHARMACEUTICALS, INC. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133560-A9 | ACETYLENIC HETEROARYL COMPOUNDS | ARIAD PHARMA INC (US) | 2008-11-13 | — | — | WO | disclosed |
| WO-2007133560-A2 | ACETYLENIC HETEROARYL COMPOUNDS | ARIAD PHARMACEUTICALS, INC. (US) | 2007-11-22 | — | — | 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 (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-20090176781-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | GPR3 3431/4885TGFBR1 3199/4885MAPT 1839/4885 |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | GPR3 3431/4885TGFBR1 3199/4885MAPT 1839/4885 |
“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.