Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL15004473 | 0.79 | TSHR (0.65) | TSHRITGB3ITGB1ITGAVITGA4 | |
| SCHEMBL2090407 | 0.76 | TSHR (0.60) | TSHR | |
| SCHEMBL15004474 | 0.74 | TSHR (0.59) | TSHRITGB3ITGB1ITGAVITGA4 | |
| SCHEMBL2749102 | 0.74 | TSHR (0.59) | TSHRESR1KDM4ENPC1 | |
| Adamantane SCHEMBL2307508 | 0.68 | THRB (0.61) | TSHRESR1THRBCYP2C9NPC1 | |
| Adamantane SCHEMBL2307499 | 0.68 | THRB (0.61) | TSHRESR1THRBCYP2C9NPC1 | |
| SCHEMBL7401851 | 0.67 | TSHR (0.50) | TSHRESR1KDM4ENPC1HSD11B1 | |
| Adamantane SCHEMBL935449 | 0.66 | HSD11B1 (0.48) | TSHRTHRBCYP2C9HSD11B1 | |
| Adamantane SCHEMBL974954 | 0.66 | HSD11B1 (0.48) | TSHRTHRBCYP2C9HSD11B1 | |
| Adamantane SCHEMBL3981833 | 0.66 | HSD11B1 (0.48) | TSHRTHRBCYP2C9HSD11B1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230227-B1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | NOVARTIS AG (CH) | 2004-06-23 | — | — | EP | disclosed |
| US-6716865-B1 | SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE | NOVARTIS AG (CH) | 2004-04-06 | — | — | US | disclosed |
| EP-1230227-A1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | Novartis AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036398-A1 | BENZOXA- AND BENZTHIAZOLES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |
| EP-0246114-B1 | PHOTOCHROMIC SPIROPYRAN COMPOUNDS | GEC-MARCONI LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |
| US-4826977-A | Photochromic spiropyran compounds | THE PLESSEY COMPANY PLC (GB) | 1989-05-02 | — | — | US | disclosed |
| EP-0246114-A2 | Photochromic spiropyran compounds | GEC-MARCONI LIMITED (GB) | 1987-11-19 | — | — | EP | disclosed |