Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15051877 | 0.91 | ABL1 (0.36) | ADORA3HSD17B10RAB9ANPC1ALDH1A1 | |
| SCHEMBL15050840 | 0.89 | ABL1 (0.36) | TDP1HPGDSMN1; SMN2ABL1 | |
| SCHEMBL15051589 | 0.88 | NPC1 (0.32) | ADORA3HSD17B10RAB9ATDP1HPGD | |
| SCHEMBL15051323 | 0.86 | PIK3CA (0.37) | HSD17B10RAB9ATDP1KDM4ENPC1 | |
| SCHEMBL15051698 | 0.86 | AR (0.35) | RAB9ANPC1SMN1; SMN2LRRK2ABL1 | |
| SCHEMBL15051295 | 0.85 | RAB9A (0.35) | ADORA3FYNRAB9APOLBTDP1 | |
| SCHEMBL15051606 | 0.84 | NPC1 (0.32) | ADORA3RAB9ANPC1SMN1; SMN2ABL1 | |
| SCHEMBL15051313 | 0.84 | ABL1 (0.40) | RAB9ANPC1ALDH1A1SMN1; SMN2CDK9 | |
| SCHEMBL15072383 | 0.82 | MAPK1 (0.36) | HSD17B10TDP1HPGDKDM4ENPC1 | |
| SCHEMBL15051168 | 0.81 | ABL1 (0.34) | PIK3CGRAB9ANPC1SMN1; SMN2ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013096630-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | 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 (1 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-20130165464-A1 | HETEROARYLS AND USES THEREOF | PIK3C2B, PI4KB, PIK3R4 | ADORA3 2319/4885ADORA2A 2938/4885HSD17B10 712/4885 |
“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.