Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL2530307 | 0.85 | TSHR (0.45) | TSHRCYP1A2ATMMEN1NPC1 | |
| SCHEMBL30350 | 0.80 | — | — | |
| SCHEMBL6782595 | 0.80 | TSHR (0.50) | TSHRCYP1A2ATMMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL6052939 | 0.78 | — | — | |
| Fluoride SCHEMBL28479463 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27993639 | 0.78 | TSHR (0.48) | TSHRCYP1A2ATMMEN1NPC1 | |
| Bromide SCHEMBL3617299 | 0.78 | — | — | |
| SCHEMBL6250803 | 0.78 | TSHR (0.48) | TSHRCYP1A2ATMMEN1NPC1 | |
| Sulfuric Acid SCHEMBL29716525 | 0.73 | TSHR (0.44) | TSHRCYP1A2ATMMEN1NPC1 | |
| SCHEMBL15367854 | 0.73 | FKBP5 (0.59) | TSHRCYP1A2RAB9ASMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831095-B1 | Process for the preparation of dicetopyrrolopyrrole carboxylic acids, their esters and amides | CIBA SC HOLDING AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-5874588-A | Process for the preparation of diketopyrrolopyrrolecarboxylic acids and their esters and amides | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0831095-A2 | Process for the preparation of dicetopyrrolopyrrole carboxylic acids, their esters and amides | Ciba SC Holding AG (CH) | 1998-03-25 | — | — | EP | disclosed |