Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL12250792 | 0.92 | NOS3 (0.42) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL20135330 | 0.87 | HTR2C (0.42) | NOS3NOS1NOS2CHRM4SSTR4 | |
| SCHEMBL20135134 | 0.80 | TRPC6 (0.39) | CHRM4SMOSSTR4PDE10A | |
| SCHEMBL14910572 | 0.79 | NOS3 (0.34) | NOS3NOS1NOS2KDM4EHTT | |
| SCHEMBL16132537 | 0.79 | L3MBTL1 (0.38) | KDM4EHTTCHRM4OPRL1CNR2 | |
| SCHEMBL29989036 | 0.79 | OPRL1 (0.40) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL15599220 | 0.79 | OPRL1 (0.40) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL29989564 | 0.79 | PDK2 (0.36) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL2470465 | 0.75 | NOS3 (0.38) | NOS3NOS1NOS2PDK2PDK4 | |
| SCHEMBL18635770 | 0.75 | OPRL1 (0.34) | CHRM4OPRL1PDE10A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018029288-A1 | SULFONYL PYRIDYL TRP INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-02-15 | — | — | WO | disclosed |
| US-9550775-B2 | Substituted triazolopyridines and methods of use thereof | GENENTECH, INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-9493429-B2 | Substituted benzoxazoles and methods of use thereof | GENENTECH, INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160264567-A1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | GENENTECH, INC. (US) | 2016-09-15 | — | — | US | disclosed |
| WO-2016128529-A1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |
| US-20160009710-A1 | SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF | XENON PHARMACEUTICALS INC. (CA) | 2016-01-14 | — | — | US | disclosed |
| US-20160009667-A1 | SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2016-01-14 | — | — | US | disclosed |
| US-20150322002-A1 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2015-11-12 | — | — | 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 (4 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-20150322002-A1 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | BRIX1, SNRPD2, RDX | NOS3 1021/4885NOS1 1122/4885NOS2 1019/4885 |
| US-20160009710-A1 | SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF | P2RX3, P2RX1, P2RX4 | NOS3 920/4885NOS1 1582/4885NOS2 1375/4885 |
| US-20160009667-A1 | SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF | CYP4X1, BRIX1, HAX1 | NOS3 2028/4885NOS1 2792/4885NOS2 2812/4885 |
| US-20160264567-A1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | TRPA1, TRPV1, TRPV5 | NOS3 776/4885NOS1 1007/4885NOS2 661/4885 |
“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.