Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | LPL | P06858 | 1/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL40574 | 0.97 | — | — | |
| SCHEMBL5497395 | 0.97 | IDO1 (0.55) | IDO1TP53ACHETDP1TAAR1 | |
| P-Xylene SCHEMBL28187926 | 0.97 | IDO1 (0.55) | IDO1TP53ACHETDP1TAAR1 | |
| Water SCHEMBL28807786 | 0.94 | IDO1 (0.52) | IDO1TP53ACHETDP1TAAR1 | |
| Methyl Alcohol SCHEMBL7137700 | 0.91 | IDO1 (0.50) | IDO1TP53ACHETDP1TAAR1 | |
| Ethylene SCHEMBL11370883 | 0.91 | IDO1 (0.50) | IDO1TP53ACHETDP1TAAR1 | |
| Ethyne SCHEMBL28869506 | 0.91 | IDO1 (0.50) | IDO1TP53ACHETDP1TAAR1 | |
| SCHEMBL6546215 | 0.88 | TAAR1 (0.56) | IDO1TP53ACHETDP1TAAR1 | |
| SCHEMBL6548000 | 0.88 | IDO1 (0.48) | IDO1TP53ACHETDP1TAAR1 | |
| SCHEMBL2493917 | 0.88 | IDO1 (0.48) | IDO1TP53ACHETDP1TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814669-A | REACTING A PHENETHYLAMINE WITH 4-ISOPROPYL-2,5-OXAZOLIDINEDIONE; APPLYING TO PLANT, SOIL OR SEED | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-29 | — | — | US | disclosed |
| EP-0801083-A2 | Improved functionalized resin for chemical synthesis | PFIZER INC. (US) | 1997-10-15 | — | — | EP | disclosed |