Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18165223 | 0.79 | ESR1 (0.55) | ESR1TSHRCYP3A4MAPK1CNR1 | |
| SCHEMBL165879 | 0.79 | ESR1 (0.47) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL28250002 | 0.77 | ESR1 (0.49) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL11559035 | 0.76 | ESR1 (0.43) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL18154629 | 0.75 | TSHR (0.61) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL15422580 | 0.73 | ALDH1A1 (0.62) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL1357375 | 0.73 | ALDH1A1 (0.62) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL28708367 | 0.73 | ALDH1A1 (0.62) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL16267961 | 0.73 | ALDH1A1 (0.62) | ESR1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL28048651 | 0.73 | ALDH1A1 (0.62) | ESR1TSHRTP53CYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102482249-A | TOFA analogs for treating skin disorders or conditions | VALOCOR THERAPEUTICS INC | 2012-05-30 | — | — | CN | claimed |
| CN-102482249-B | TOFA analogs for treating skin disorders or conditions | 德米拉(加拿大)公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105017187-A | TOFA analogs useful in treating dermatological disorders or conditions | VALOCOR THERAPEUTICS INC | 2015-11-04 | — | — | CN | disclosed |
| CN-102482249-A | TOFA analogs for treating skin disorders or conditions | VALOCOR THERAPEUTICS INC | 2012-05-30 | — | — | CN | disclosed |