Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8950095 | 0.77 | PIK3CA (0.38) | CYP1A2RAB9AP2RX7ALDH1A1TDP1 | |
| SCHEMBL15381491 | 0.73 | ALDH1A1 (0.49) | CYP1A2RAB9AALDH1A1TDP1RECQL | |
| SCHEMBL30030214 | 0.73 | ALDH1A1 (0.49) | CYP1A2RAB9AALDH1A1TDP1RECQL | |
| SCHEMBL21233346 | 0.72 | BRD4 (0.43) | CYP1A2RAB9AP2RX7ALDH1A1TDP1 | |
| SCHEMBL11126232 | 0.71 | CYP1A2 (0.40) | CYP1A2RAB9AP2RX7ALDH1A1TDP1 | |
| SCHEMBL3557832 | 0.70 | P2RX7 (0.34) | CYP1A2RAB9AP2RX7ALDH1A1TDP1 | |
| SCHEMBL9007469 | 0.70 | CYP2A6 (0.49) | CYP1A2ALDH1A1HTTKDM4ECYP3A4 | |
| SCHEMBL9592630 | 0.69 | CYP11B1 (0.44) | CYP1A2RAB9AALDH1A1TDP1GFER | |
| SCHEMBL18912013 | 0.69 | RAB9A (0.51) | RAB9AP2RX7ALDH1A1TDP1KDM4E | |
| SCHEMBL11253230 | 0.68 | MAPKAPK2 (0.43) | RAB9AALDH1A1TDP1GFERRECQL |
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-8188085-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20100113439-A1 | Antifungal agents | MERCK & CO., INC. (US) | 2010-05-06 | — | — | 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-20100113439-A1 | Antifungal agents | GMDS, GBA3, UGGT1 | CYP1A2 623/4885RAB9A 1722/4885P2RX7 1931/4885 |
“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.