Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21832 | 0.92 | GAA (0.64) | GAAMGAMSIMGAM2CYP1A2 | |
| Fluoride SCHEMBL28327166 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL28167636 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28164171 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL17433547 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL28142546 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL17433596 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| Propane SCHEMBL28283402 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL28225600 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2CYP1A2 | |
| SCHEMBL1549737 | 0.88 | GAA (0.58) | GAAMGAMSIMGAM2CYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4077983-A | PROGESTATIONAL ACTIVITY | HOFFMANN-LA ROCHE, INC. (US) | 1978-03-07 | — | — | US | disclosed |
| US-4061679-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4059612-A | Substituted indanones | HOFFMANN-LA ROCHE, INC. (US) | 1977-11-22 | — | — | US | disclosed |
| US-4053486-A | STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES | HOFFMANN-LA ROCHE INC. (US) | 1977-10-11 | — | — | US | disclosed |
| US-4052413-A | STEREOSPECIFIC TOTAL STEROIDAL SYNTHESIS VIA SUBSTITUTED C/D-TRANS INDANONES | HOFFMANN-LA ROCHE, INC. (US) | 1977-10-04 | — | — | US | disclosed |
| US-4049677-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMAN-LA ROCHE INC. (US) | 1977-09-20 | — | — | US | disclosed |
| US-4048195-A | Process of synthesizing substituted indanones | HOFFMANN-LA ROCHE INC. (US) | 1977-09-13 | — | — | US | disclosed |
| US-3985733-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-10-12 | — | — | US | disclosed |
| US-3984473-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3965117-A | Stereospecific total steroidal synthesis via substituted c/d-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3950389-A | Stereospecific total steroidal synthesis via substituted C/D-trans indanones | HOFFMANN-LA ROCHE INC. (US) | 1976-04-13 | — | — | US | disclosed |