Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4876989 | 0.86 | ALDH1A1 (0.47) | CYP19A1MAOBMAPTTSHRHSD17B10 | |
| SCHEMBL913653 | 0.85 | KDM4E (0.35) | NPC1RAB9ATSHR | |
| SCHEMBL10334479 | 0.85 | CYP19A1 (0.49) | NPC1CYP19A1TP53MAPTRAB9A | |
| SCHEMBL14059245 | 0.85 | CYP19A1 (0.43) | CYP19A1MAPT | |
| SCHEMBL2659588 | 0.84 | CYP19A1 (0.50) | NPC1CYP19A1MAOBRAB9AMAP3K14 | |
| SCHEMBL26488602 | 0.83 | MAP3K14 (0.46) | NPC1TP53MAPTTHRBMAP3K14 | |
| SCHEMBL914231 | 0.81 | CYP19A1 (0.43) | CYP19A1MAOBMAPTTSHRHSD17B10 | |
| SCHEMBL10334508 | 0.81 | IMPDH2 (0.41) | NPC1MAPTRAB9AHSD17B10MAP3K14 | |
| SCHEMBL10334490 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL915090 | 0.78 | MAOB (0.38) | MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | ABBVIE INC. | 2008-08-07 | — | — | 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-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | DPYD, TYMS, UMPS | NPC1 313/4885CYP19A1 1129/4885MAOB 736/4885 |
“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.